Basic information
- CAS
66631-29-6- Standard SMILES
O=C(O)c1ccc(-c2nc3ccccc3[nH]2)cc1- InChIKey
UMZBLZRCSSUXQR-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422756
Names & identifiers
- Preferred name
- 4-(1h-Benzimidazol-2-yl)benzoic acid
- IUPAC
- 4-(1H-benzimidazol-2-yl)benzoic acid
- English name
- 4-(1H-Benzoimidazol-2-yl)-benzoic acid
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
66631-29-64-(1h-benzimidazol-2-yl)benzoic acidBenzoic acid, 4-(1H-benzimidazol-2-yl)-DTXSID50353952RefChem:286767DTXCID30305015UMZBLZRCSSUXQR-UHFFFAOYSA-N4-(1h-benzo[d]imidazol-2-yl)benzoic acid4-(1H-Benzoimidazol-2-yl)-benzoic acidMFCD00443919Benzoic acid, p-2-benzimidazolyl-4-(1H-1,3-BENZIMIDAZOL-2-YL)BENZOIC ACID
Show more names
4-(2-Benzimidazolyl)benzoic Acid
MLS0005483064-(1h-1,3-benzodiazol-2-yl)benzoic acidSMR0001722324-benzimidazol-2-ylbenzoic acid2-(4-carboxyphenyl)-1h-benzimidazole4-(1 H -Benzoimidazol-2-yl)-benzoic acidOprea1_553469Oprea1_675059
Database identifiers
- CAS
66631-29-6- PubChem CID
- 759419
- DTXSID
DTXSID50353952- ChEMBL
CHEMBL1619366- Nikkaji
- J1.492.125G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 508.5 · 508.5±52.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.34 · 3.34±0.10(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers30 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
湖北斯麦尔医药科技有限公司15527913960 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
3 records
Compound notes
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