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

C26H33ClN4O — CID 124818216

IUPACN-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H33ClN4O/c1-3-4-15-29(2)26(32)21-13-16-30(17-14-21)19-25-28-23-7-5-6-8-24(23)31(25)18-20-9-11-22(27)12-10-20/h5-12,21H,3-4,13-19H2,1-2H3
InChIKeyQEOINOLZFRAEQO-UHFFFAOYSA-N
MW453.03 g/mol
LogP5.21
Rot. Bonds8

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

N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 124818216) has the molecular formula C26H33ClN4O and a molecular weight of 453.03 g/mol. Its IUPAC name is N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID124818216
Molecular FormulaC26H33ClN4O
Molecular Weight453.03 g/mol
Exact Mass452.23
IUPAC NameN-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H33ClN4O/c1-3-4-15-29(2)26(32)21-13-16-30(17-14-21)19-25-28-23-7-5-6-8-24(23)31(25)18-20-9-11-22(27)12-10-20/h5-12,21H,3-4,13-19H2,1-2H3
InChIKeyQEOINOLZFRAEQO-UHFFFAOYSA-N
XLogP5.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.03
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
CID 124801929
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
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782099
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 23609975
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;octanedioic acid
CID 155011240
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
ethyl 1-[(1-butylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084299
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124823903

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide (CID 124818216) is N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is QEOINOLZFRAEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O/c1-3-4-15-29(2)26(32)21-13-16-30(17-14-21)19-25-28-23-7-5-6-8-24(23)31(25)18-20-9-11-22(27)12-10-20/h5-12,21H,3-4,13-19H2,1-2H3.
What are the key properties of N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 453.03 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 124818216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).