1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C28H31N5O — CID 20883026

IUPAC1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4ccccn4)CC3)nc3ccccc32)c1
InChIInChI=1S/C28H31N5O/c1-20-10-11-21(2)23(17-20)19-33-26-9-4-3-8-25(26)31-28(33)32-15-12-22(13-16-32)27(34)30-18-24-7-5-6-14-29-24/h3-11,14,17,22H,12-13,15-16,18-19H2,1-2H3,(H,30,34)
InChIKeyLLPMHJGQYWGLML-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.63
Rot. Bonds6

About 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 20883026) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID20883026
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4ccccn4)CC3)nc3ccccc32)c1
InChIInChI=1S/C28H31N5O/c1-20-10-11-21(2)23(17-20)19-33-26-9-4-3-8-25(26)31-28(33)32-15-12-22(13-16-32)27(34)30-18-24-7-5-6-14-29-24/h3-11,14,17,22H,12-13,15-16,18-19H2,1-2H3,(H,30,34)
InChIKeyLLPMHJGQYWGLML-UHFFFAOYSA-N
XLogP4.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 20886929
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716142
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 20883058
N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20883034
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883060
N-[(3-bromophenyl)methyl]-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887020
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 53198927
1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 46106507
ethyl (3R)-1-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 92716355
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 20883026) is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4ccccn4)CC3)nc3ccccc32)c1.
What is the InChIKey of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LLPMHJGQYWGLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-20-10-11-21(2)23(17-20)19-33-26-9-4-3-8-25(26)31-28(33)32-15-12-22(13-16-32)27(34)30-18-24-7-5-6-14-29-24/h3-11,14,17,22H,12-13,15-16,18-19H2,1-2H3,(H,30,34).
What are the key properties of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20883026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).