methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate

C16H14N2O3 — CID 5328532

IUPACmethyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1OC)ncn2-c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-20-15-9-13-14(8-12(15)16(19)21-2)18(10-17-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyAIARRPNZZRCXGD-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.82
Rot. Bonds3

About methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate

methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate (PubChem CID 5328532) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate
PubChem CID5328532
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1OC)ncn2-c1ccccc1
InChIInChI=1S/C16H14N2O3/c1-20-15-9-13-14(8-12(15)16(19)21-2)18(10-17-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyAIARRPNZZRCXGD-UHFFFAOYSA-N
XLogP2.82
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate (CID 5328532) is methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate is COC(=O)c1cc2c(cc1OC)ncn2-c1ccccc1.
What is the InChIKey of methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate?
The InChIKey is AIARRPNZZRCXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-15-9-13-14(8-12(15)16(19)21-2)18(10-17-13)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate?
methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 5328532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).