1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide

C24H23N3O3 — CID 3594822

IUPAC1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCCc4ccccc4)ccc32)c1
InChIInChI=1S/C24H23N3O3/c1-29-19-9-11-23(30-2)22(15-19)27-16-26-20-14-18(8-10-21(20)27)24(28)25-13-12-17-6-4-3-5-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,25,28)
InChIKeyFEGKVOXJHPADQD-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.02
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide

1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 3594822) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
PubChem CID3594822
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCCc4ccccc4)ccc32)c1
InChIInChI=1S/C24H23N3O3/c1-29-19-9-11-23(30-2)22(15-19)27-16-26-20-14-18(8-10-21(20)27)24(28)25-13-12-17-6-4-3-5-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,25,28)
InChIKeyFEGKVOXJHPADQD-UHFFFAOYSA-N
XLogP4.02
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 4288193
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 39048130
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53003089
N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
CID 156811262
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide (CID 3594822) is 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide is COc1ccc(OC)c(-n2cnc3cc(C(=O)NCCc4ccccc4)ccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is FEGKVOXJHPADQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-19-9-11-23(30-2)22(15-19)27-16-26-20-14-18(8-10-21(20)27)24(28)25-13-12-17-6-4-3-5-7-17/h3-11,14-16H,12-13H2,1-2H3,(H,25,28).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide?
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3594822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).