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

C28H28Cl2N4O — CID 124782099

IUPACN-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H28Cl2N4O/c29-23-9-5-20(6-10-23)17-31-28(35)22-13-15-33(16-14-22)19-27-32-25-3-1-2-4-26(25)34(27)18-21-7-11-24(30)12-8-21/h1-12,22H,13-19H2,(H,31,35)
InChIKeyOWCNTBITPZWLFW-UHFFFAOYSA-N
MW507.47 g/mol
LogP5.92
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 124782099) has the molecular formula C28H28Cl2N4O and a molecular weight of 507.47 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID124782099
Molecular FormulaC28H28Cl2N4O
Molecular Weight507.47 g/mol
Exact Mass506.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H28Cl2N4O/c29-23-9-5-20(6-10-23)17-31-28(35)22-13-15-33(16-14-22)19-27-32-25-3-1-2-4-26(25)34(27)18-21-7-11-24(30)12-8-21/h1-12,22H,13-19H2,(H,31,35)
InChIKeyOWCNTBITPZWLFW-UHFFFAOYSA-N
XLogP5.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.47
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 124799226
1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
CID 124801929
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 124781631
N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 124818216
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746433
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;octanedioic acid
CID 155011240
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
N-[(4-bromophenyl)methyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124782733
N-(2,6-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124798205

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide (CID 124782099) is N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is OWCNTBITPZWLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O/c29-23-9-5-20(6-10-23)17-31-28(35)22-13-15-33(16-14-22)19-27-32-25-3-1-2-4-26(25)34(27)18-21-7-11-24(30)12-8-21/h1-12,22H,13-19H2,(H,31,35).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 507.47 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124782099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).