2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

C28H29ClN4O2 — CID 11712859

IUPAC2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCC4CCCCN4Cc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H29ClN4O2/c29-22-9-4-19(5-10-22)18-33-15-2-1-3-23(33)14-16-35-24-11-6-20(7-12-24)28-31-25-13-8-21(27(30)34)17-26(25)32-28/h4-13,17,23H,1-3,14-16,18H2,(H2,30,34)(H,31,32)
InChIKeyOLGDSVAGYXUQFQ-UHFFFAOYSA-N
MW489.02 g/mol
LogP5.81
Rot. Bonds8

About 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11712859) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11712859
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC Name2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCC4CCCCN4Cc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H29ClN4O2/c29-22-9-4-19(5-10-22)18-33-15-2-1-3-23(33)14-16-35-24-11-6-20(7-12-24)28-31-25-13-8-21(27(30)34)17-26(25)32-28/h4-13,17,23H,1-3,14-16,18H2,(H2,30,34)(H,31,32)
InChIKeyOLGDSVAGYXUQFQ-UHFFFAOYSA-N
XLogP5.81
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.02
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-4,6-dimethyl-1H-1,3-benzodiazole
CID 11258459
5-chloro-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11451949
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
(R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpiperidin-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 9825614
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11712859) is 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCCC4CCCCN4Cc4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OLGDSVAGYXUQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c29-22-9-4-19(5-10-22)18-33-15-2-1-3-23(33)14-16-35-24-11-6-20(7-12-24)28-31-25-13-8-21(27(30)34)17-26(25)32-28/h4-13,17,23H,1-3,14-16,18H2,(H2,30,34)(H,31,32).
What are the key properties of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 489.02 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11712859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).