[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone

C23H26ClN3O — CID 18315440

IUPAC[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCCCc1nc2ccc(C(=O)N3CCCCC3)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H26ClN3O/c1-2-8-22-25-20-12-11-17(23(28)26-13-6-3-7-14-26)15-21(20)27(22)16-18-9-4-5-10-19(18)24/h4-5,9-12,15H,2-3,6-8,13-14,16H2,1H3
InChIKeyKEEGGFMSPUAFOE-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.32
Rot. Bonds5

About [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone

[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 18315440) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
PubChem CID18315440
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
SMILESCCCc1nc2ccc(C(=O)N3CCCCC3)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H26ClN3O/c1-2-8-22-25-20-12-11-17(23(28)26-13-6-3-7-14-26)15-21(20)27(22)16-18-9-4-5-10-19(18)24/h4-5,9-12,15H,2-3,6-8,13-14,16H2,1H3
InChIKeyKEEGGFMSPUAFOE-UHFFFAOYSA-N
XLogP5.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone 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-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644
1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
CID 18315589
N-[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]acetamide
CID 22620334
2-butyl-3-[(2-chlorophenyl)methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 18315518
3-[(2-chlorophenyl)methyl]-2-propyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 54266313
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)methyl]-2-propylbenzimidazole-5-carboxamide
CID 18681073
ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18680791
[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol
CID 19094237
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 110899899
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
CID 22627368
1-[(2-chlorophenyl)methyl]-2-ethylindole-6-carboxylic acid
CID 150063466

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone (CID 18315440) is [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone is CCCc1nc2ccc(C(=O)N3CCCCC3)cc2n1Cc1ccccc1Cl.
What is the InChIKey of [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is KEEGGFMSPUAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-2-8-22-25-20-12-11-17(23(28)26-13-6-3-7-14-26)15-21(20)27(22)16-18-9-4-5-10-19(18)24/h4-5,9-12,15H,2-3,6-8,13-14,16H2,1H3.
What are the key properties of [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone?
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 395.93 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 18315440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).