ethyl 1-phenylbenzimidazole-5-carboxylate

C16H14N2O2 — CID 175878732

IUPACethyl 1-phenylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-8-9-15-14(10-12)17-11-18(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyPGRCLLRQPTVMGE-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.20
Rot. Bonds3

About ethyl 1-phenylbenzimidazole-5-carboxylate

ethyl 1-phenylbenzimidazole-5-carboxylate (PubChem CID 175878732) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenylbenzimidazole-5-carboxylate
PubChem CID175878732
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 1-phenylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-8-9-15-14(10-12)17-11-18(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyPGRCLLRQPTVMGE-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-[methoxy-(2-methylpyrazol-3-yl)methyl]phenyl]benzimidazole-5-carboxylate
CID 67484191
ethyl 3-amino-4-(benzimidazol-1-yl)benzoate
CID 61311135
ethyl 1-(2,2-difluoroethyl)benzimidazole-5-carboxylate
CID 152584994
2-hydroxyethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate
CID 22330133
ethyl N-[2-[[(E)-3-[4-[(1-phenylbenzimidazole-5-carbonyl)amino]phenyl]prop-2-enoyl]amino]phenyl]carbamate
CID 171714521
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
2-(dimethylamino)ethyl 1-[3-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate
CID 22741926
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
CID 67372009
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
2-methoxyethyl 1-[3-(4-ethyl-3,5-dimethylpiperazin-1-yl)phenyl]benzimidazole-5-carboxylate
CID 22330098
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183
ethyl 5-acetamido-3-phenylimidazole-4-carboxylate
CID 12955184

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-phenylbenzimidazole-5-carboxylate (CID 175878732) is ethyl 1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-phenylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of ethyl 1-phenylbenzimidazole-5-carboxylate?
The InChIKey is PGRCLLRQPTVMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)12-8-9-15-14(10-12)17-11-18(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of ethyl 1-phenylbenzimidazole-5-carboxylate?
ethyl 1-phenylbenzimidazole-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 175878732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).