1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide

C25H32ClN5O — CID 77225710

IUPAC1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C)CCCN(C)C(=O)C1CCCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C25H32ClN5O/c1-29(2)13-7-14-30(3)25(32)18-8-6-15-31(17-18)19-11-12-21(26)20(16-19)24-27-22-9-4-5-10-23(22)28-24/h4-5,9-12,16,18H,6-8,13-15,17H2,1-3H3,(H,27,28)
InChIKeyVEXCDKLNGUAUBV-UHFFFAOYSA-N
MW454.02 g/mol
LogP4.51
Rot. Bonds7

About 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide

1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide (PubChem CID 77225710) has the molecular formula C25H32ClN5O and a molecular weight of 454.02 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide
PubChem CID77225710
Molecular FormulaC25H32ClN5O
Molecular Weight454.02 g/mol
Exact Mass453.23
IUPAC Name1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide
SMILESCN(C)CCCN(C)C(=O)C1CCCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C25H32ClN5O/c1-29(2)13-7-14-30(3)25(32)18-8-6-15-31(17-18)19-11-12-21(26)20(16-19)24-27-22-9-4-5-10-23(22)28-24/h4-5,9-12,16,18H,6-8,13-15,17H2,1-3H3,(H,27,28)
InChIKeyVEXCDKLNGUAUBV-UHFFFAOYSA-N
XLogP4.51
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide 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

[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 67099298
[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67099396
2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole
CID 141305852
2-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 59568220
N-[3-(dimethylamino)propyl]-1-[4-fluoro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-methylpiperidine-4-carboxamide
CID 67099368
azetidin-3-yl-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]methanone
CID 59568258
(3R)-1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidine-3-carboxylic acid;hydrochloride
CID 66977468
2-(azetidin-1-yl)-1-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperazin-1-yl]ethanone
CID 59568272
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-4-one;ethane
CID 143816258
[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 66977599
1-[1-[3-(1H-benzimidazol-2-yl)-4-cyclobutylphenyl]piperidin-3-yl]-2-cyclohexylethanone
CID 91273650
[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 59568281

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide (CID 77225710) is 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide is CN(C)CCCN(C)C(=O)C1CCCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VEXCDKLNGUAUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O/c1-29(2)13-7-14-30(3)25(32)18-8-6-15-31(17-18)19-11-12-21(26)20(16-19)24-27-22-9-4-5-10-23(22)28-24/h4-5,9-12,16,18H,6-8,13-15,17H2,1-3H3,(H,27,28).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide?
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 454.02 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 77225710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).