2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone

C24H29N3O2 — CID 40713288

IUPAC2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H29N3O2/c1-3-23-25-20-9-6-7-11-22(20)27(23)17-24(28)26-16-8-4-5-10-21(26)18-12-14-19(29-2)15-13-18/h6-7,9,11-15,21H,3-5,8,10,16-17H2,1-2H3/t21-/m1/s1
InChIKeyYYJFTDQQGAGVJR-OAQYLSRUSA-N
MW391.52 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone

2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone (PubChem CID 40713288) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone
PubChem CID40713288
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H29N3O2/c1-3-23-25-20-9-6-7-11-22(20)27(23)17-24(28)26-16-8-4-5-10-21(26)18-12-14-19(29-2)15-13-18/h6-7,9,11-15,21H,3-5,8,10,16-17H2,1-2H3/t21-/m1/s1
InChIKeyYYJFTDQQGAGVJR-OAQYLSRUSA-N
XLogP4.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-ethylbenzimidazol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 138993183
2-(5-ethyltetrazol-1-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 56821098
2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 138992910
3-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 17408841
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994112
1-[2-(4-methoxyphenyl)azepan-1-yl]-4-(methylamino)butan-1-one
CID 119695939
4-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 134031168
N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42920541
methyl N-[3-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]carbamate
CID 95310586

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone (CID 40713288) is 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone is CCc1nc2ccccc2n1CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone?
The InChIKey is YYJFTDQQGAGVJR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-23-25-20-9-6-7-11-22(20)27(23)17-24(28)26-16-8-4-5-10-21(26)18-12-14-19(29-2)15-13-18/h6-7,9,11-15,21H,3-5,8,10,16-17H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone?
2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone has a molecular weight of 391.52 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone is sourced from PubChem (CID 40713288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).