N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C29H31ClN4O — CID 25058425

IUPACN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
InChIKeyDJTVQVIZMNHBCR-UHFFFAOYSA-N
MW487.05 g/mol
LogP6.58
Rot. Bonds7

About N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25058425) has the molecular formula C29H31ClN4O and a molecular weight of 487.05 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25058425
Molecular FormulaC29H31ClN4O
Molecular Weight487.05 g/mol
Exact Mass486.22
IUPAC NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1
InChIInChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35)
InChIKeyDJTVQVIZMNHBCR-UHFFFAOYSA-N
XLogP6.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.05
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 872991
5-Chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole
CID 10806082
2-(4-Chloro-2-fluorophenyl)-1-{3-[4-(3-acetylaminophenyl)piperidin-1-yl]propyl}-1h-benzimidazole
CID 25114286
1-[4-(3-chlorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 25132603
endo-N-((S)-3-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide
CID 53325983
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
CID 914315
N-{2-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}acetamide
CID 1505390
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 20867287
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-Phenylacetamide
CID 126962409
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-(2-Fluorophenyl)acetamide
CID 126962412
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-N-(2-Cyanophenyl)-2-Cyclohexylacetamide
CID 126962413
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814242

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25058425) is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is DJTVQVIZMNHBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O/c1-21(35)31-26-7-4-6-24(20-26)22-14-18-33(19-15-22)16-5-17-34-28-9-3-2-8-27(28)32-29(34)23-10-12-25(30)13-11-23/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 487.05 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25058425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).