Methyl 1-benzyl-1H-benzimidazole-5-carboxylate

HCID 54450488CAS 185428-95-9
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2c(c1)ncn2Cc1ccccc1
InChIKey
WUPVMGHYFHRSTG-UHFFFAOYSA-N
Molecular formula
C16H14N2O2
Average molar mass
266.29 g/mol
Monoisotopic mass
266.10552769

Names & identifiers

Preferred name
Methyl 1-benzyl-1H-benzimidazole-5-carboxylate
IUPAC
methyl 1-benzylbenzimidazole-5-carboxylate
English name
Methyl 1-benzylbenzoiMidazole-5-carboxylate
Molecular formula
C16H14N2O2
Molecular weight
266.29

Names & synonyms

185428-95-9DTXSID60711428Methyl 1-benzyl-1H-benzimidazole-5-carboxylateRefChem:353313DTXCID70662174Methyl 1-benzylbenzoimidazole-5-carboxylateMethyl 1-benzyl-1H-benzo[d]imidazole-5-carboxylatemethyl 1-benzylbenzimidazole-5-carboxylatemethyl 1-benzyl-1H-1,3-benzodiazole-5-carboxylateSCHEMBL7814456WUPVMGHYFHRSTG-UHFFFAOYSA-NMFCD18203532
Show more names
1-benzylbenzenebenzoimidazole-5-carboxylic acidmethyl ester1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester
AKOS015999449BS-27529Methyl 1-benzyl-5-benzimidazolecarboxylateCS-0210683G65155F212447Methyl 1-benzyl-1H-1,3-benzimidazole-5-carboxylate

Database identifiers

CAS
185428-95-9
PubChem CID
54450488
DTXSID
DTXSID60711428
Nikkaji
J1.297.439F

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20

Physicochemical properties

Boiling point
452.5 · 452.5±47.0 °C(Predicted)
Density
1.19 · 1.19±0.1 g/cm3(Predicted)
pka
3.95 · 3.95±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers8 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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