1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide

C24H29ClN4O — CID 124801929

IUPAC1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
SMILESCCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClN4O/c1-3-27(2)24(30)19-12-14-28(15-13-19)17-23-26-21-6-4-5-7-22(21)29(23)16-18-8-10-20(25)11-9-18/h4-11,19H,3,12-17H2,1-2H3
InChIKeyCKUVPORESAPVFC-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.43
Rot. Bonds6

About 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide

1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide (PubChem CID 124801929) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
PubChem CID124801929
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
SMILESCCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClN4O/c1-3-27(2)24(30)19-12-14-28(15-13-19)17-23-26-21-6-4-5-7-22(21)29(23)16-18-8-10-20(25)11-9-18/h4-11,19H,3,12-17H2,1-2H3
InChIKeyCKUVPORESAPVFC-UHFFFAOYSA-N
XLogP4.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 124818216
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782099
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 124823623
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;undecanoic acid
CID 656650
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;octanedioic acid
CID 155011240
(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 124835412
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55428267
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
methyl 4-[[2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]methyl]benzoate
CID 59172140

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide (CID 124801929) is 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide is CCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide?
The InChIKey is CKUVPORESAPVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-3-27(2)24(30)19-12-14-28(15-13-19)17-23-26-21-6-4-5-7-22(21)29(23)16-18-8-10-20(25)11-9-18/h4-11,19H,3,12-17H2,1-2H3.
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide?
1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide has a molecular weight of 424.98 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 124801929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).