2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide

C25H26N6O2 — CID 92620291

IUPAC2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
SMILESCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c(C(N)=O)[nH]2)C1
InChIInChI=1S/C25H26N6O2/c1-16-27-19-11-5-6-12-20(19)31(16)15-21(32)30-13-7-10-18(14-30)25-28-22(23(29-25)24(26)33)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,26,33)(H,28,29)/t18-/m1/s1
InChIKeyOSOVPJZAHGTPHS-GOSISDBHSA-N
MW442.52 g/mol
LogP3.24
Rot. Bonds5

About 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide

2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide (PubChem CID 92620291) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
PubChem CID92620291
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide
SMILESCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c(C(N)=O)[nH]2)C1
InChIInChI=1S/C25H26N6O2/c1-16-27-19-11-5-6-12-20(19)31(16)15-21(32)30-13-7-10-18(14-30)25-28-22(23(29-25)24(26)33)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,26,33)(H,28,29)/t18-/m1/s1
InChIKeyOSOVPJZAHGTPHS-GOSISDBHSA-N
XLogP3.24
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110259820
4-(4-methoxyphenyl)-2-[1-(2-phenoxyacetyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092729
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124959107
4-(4-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092743
2-(2-methylbenzimidazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110213945
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 110259340
4-(4-methoxyphenyl)-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110092754
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124974580
2-(2-methylbenzimidazol-1-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 175652470
2-(2-methylbenzimidazol-1-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128988223
2-[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-4-yl]acetamide
CID 131963219
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119540436

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide (CID 92620291) is 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide is Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c(C(N)=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is OSOVPJZAHGTPHS-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-27-19-11-5-6-12-20(19)31(16)15-21(32)30-13-7-10-18(14-30)25-28-22(23(29-25)24(26)33)17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,26,33)(H,28,29)/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide?
2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-3-yl]-4-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 92620291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).