ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate

C24H22N2O2 — CID 18681064

IUPACethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)n(Cc3ccccc3-c3ccccc3)c2c1
InChIInChI=1S/C24H22N2O2/c1-3-28-24(27)19-13-14-22-23(15-19)26(17(2)25-22)16-20-11-7-8-12-21(20)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3
InChIKeyOXNSWCMRHCSKTI-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.24
Rot. Bonds5

About ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate

ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate (PubChem CID 18681064) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
PubChem CID18681064
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Nameethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)n(Cc3ccccc3-c3ccccc3)c2c1
InChIInChI=1S/C24H22N2O2/c1-3-28-24(27)19-13-14-22-23(15-19)26(17(2)25-22)16-20-11-7-8-12-21(20)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3
InChIKeyOXNSWCMRHCSKTI-UHFFFAOYSA-N
XLogP5.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18681136
ethyl 3-[(2-chloro-4-methoxycarbonylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467652
ethyl 3-[(2-chloro-4-ethylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508820
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18680791
ethyl 2-methyl-1-[(2-nitrophenyl)methyl]benzimidazole-5-carboxylate
CID 18681168
ethyl 3-[(2-chloro-4-nitrophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508700
ethyl 3-[[2-chloro-4-[phenyl(phenylmethoxy)methyl]phenyl]methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467655
3-[(2-chloro-4-phenylphenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 174361162
ethyl 3-(hydroxymethyl)-4-phenylbenzoate
CID 175285758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate (CID 18681064) is ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate is CCOC(=O)c1ccc2nc(C)n(Cc3ccccc3-c3ccccc3)c2c1.
What is the InChIKey of ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate?
The InChIKey is OXNSWCMRHCSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-28-24(27)19-13-14-22-23(15-19)26(17(2)25-22)16-20-11-7-8-12-21(20)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate?
ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 18681064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).