methyl 1-phenylbenzimidazole-5-carboxylate

C15H12N2O2 — CID 5328469

IUPACmethyl 1-phenylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-7-8-14-13(9-11)16-10-17(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVATOEEFYHKVJSC-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.81
Rot. Bonds2

About methyl 1-phenylbenzimidazole-5-carboxylate

methyl 1-phenylbenzimidazole-5-carboxylate (PubChem CID 5328469) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenylbenzimidazole-5-carboxylate
PubChem CID5328469
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl 1-phenylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-7-8-14-13(9-11)16-10-17(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVATOEEFYHKVJSC-UHFFFAOYSA-N
XLogP2.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
CID 55935
Brd4770
CID 72193870
1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
5-Benzimidazolecarboxylic acid
CID 459456
Methyl 4-(1H-imidazol-1-yl)benzoate
CID 2766374
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
1-Phenylbenzimidazole deriv. 72
CID 5328471
5-Substituted 1-Phenylbenzimidazole 42
CID 5328532
5-Substituted 1-Phenylbenzimidazole 44
CID 5328534
methyl 4-(6-(diisopentylcarbamoyl)-1-(3-(piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2-ylamino)benzoate
CID 44432941

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1-phenylbenzimidazole-5-carboxylate (CID 5328469) is methyl 1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-phenylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of methyl 1-phenylbenzimidazole-5-carboxylate?
The InChIKey is VATOEEFYHKVJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15(18)11-7-8-14-13(9-11)16-10-17(14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of methyl 1-phenylbenzimidazole-5-carboxylate?
methyl 1-phenylbenzimidazole-5-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 5328469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).