Basic information
- CAS
4887-85-8- Standard SMILES
CCCCn1c(C)nc2ccccc21- InChIKey
QFCMOFRLADNCHO-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 1-Butyl-2-methylbenzimidazole
- IUPAC
- 1-butyl-2-methylbenzimidazole
- English name
- 1H-Benzimidazole,1-butyl-2-methyl-(9CI)
- Molecular formula
- C12H16N2
- Molecular weight
- 188.27
Names & synonyms
4887-85-81-butyl-2-methylbenzimidazole1-butyl-2-methyl-1H-benzo[d]imidazole1-butyl-2-methyl-1H-benzimidazoleNSC 345180HMS1674P15NSC345180SCHEMBL10223001-n-butyl-2-methylbenzimidazoleCHEMBL4870103DTXSID30319415QFCMOFRLADNCHO-UHFFFAOYSA-N
Show more names
1H-Benzimidazole, 1-butyl-2-methyl-
STL565160AKOS000560008NSC-3451801-Butyl-2-methyl-1H-1,3-benzimidazole1H-Benzimidazole,1-butyl-2-methyl-(9CI)ST50056406Z57114915
Database identifiers
- CAS
4887-85-8- PubChem CID
- 335472
- DTXSID
DTXSID30319415- ChEMBL
CHEMBL4870103
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 162 · 162-166 °C(Press: 0.4-0.5 Torr)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 6.03 · 6.03±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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