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

C28H29ClN4O2 — CID 11511483

IUPAC2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1
InChIInChI=1S/C28H29ClN4O2/c29-23-6-1-20(2-7-23)18-33-14-11-19(12-15-33)13-16-35-24-8-3-21(4-9-24)28-31-25-10-5-22(27(30)34)17-26(25)32-28/h1-10,17,19H,11-16,18H2,(H2,30,34)(H,31,32)
InChIKeySKXACUZBJSCLOS-UHFFFAOYSA-N
MW489.02 g/mol
LogP5.66
Rot. Bonds8

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

2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11511483) 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-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11511483
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC Name2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1
InChIInChI=1S/C28H29ClN4O2/c29-23-6-1-20(2-7-23)18-33-14-11-19(12-15-33)13-16-35-24-8-3-21(4-9-24)28-31-25-10-5-22(27(30)34)17-26(25)32-28/h1-10,17,19H,11-16,18H2,(H2,30,34)(H,31,32)
InChIKeySKXACUZBJSCLOS-UHFFFAOYSA-N
XLogP5.66
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 ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mchb-1
CID 44561533
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
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
2-[4-[Bis(4-chlorophenyl)methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 10144617
2-[4-[[5-Acetamido-2-(4-chlorophenyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11845800
2-[4-[[2-(4-Chlorophenyl)-5-(dimethylcarbamoylamino)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11845987
2-[4-[[2-(4-Carbamoylphenyl)-5-chloro-phenyl]methoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid
CID 11847469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11511483) is 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is SKXACUZBJSCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c29-23-6-1-20(2-7-23)18-33-14-11-19(12-15-33)13-16-35-24-8-3-21(4-9-24)28-31-25-10-5-22(27(30)34)17-26(25)32-28/h1-10,17,19H,11-16,18H2,(H2,30,34)(H,31,32).
What are the key properties of 2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 489.02 g/mol, XLogP of 5.66, 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-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11511483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).