1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide

C26H25N5O2 — CID 72771099

IUPAC1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2c(c1)ncn2CC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H25N5O2/c32-25(29-22-7-4-12-27-16-22)21-8-9-24-23(15-21)28-18-31(24)17-19-10-13-30(14-11-19)26(33)20-5-2-1-3-6-20/h1-9,12,15-16,18-19H,10-11,13-14,17H2,(H,29,32)
InChIKeyUROBXDPDOFZURE-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.24
Rot. Bonds5

About 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide

1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide (PubChem CID 72771099) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
PubChem CID72771099
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2c(c1)ncn2CC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H25N5O2/c32-25(29-22-7-4-12-27-16-22)21-8-9-24-23(15-21)28-18-31(24)17-19-10-13-30(14-11-19)26(33)20-5-2-1-3-6-20/h1-9,12,15-16,18-19H,10-11,13-14,17H2,(H,29,32)
InChIKeyUROBXDPDOFZURE-UHFFFAOYSA-N
XLogP4.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 71780826
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
N-[3-[4-(benzenesulfonamido)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55634720
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
CID 175657170
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942955

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide (CID 72771099) is 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide is O=C(Nc1cccnc1)c1ccc2c(c1)ncn2CC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
The InChIKey is UROBXDPDOFZURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-25(29-22-7-4-12-27-16-22)21-8-9-24-23(15-21)28-18-31(24)17-19-10-13-30(14-11-19)26(33)20-5-2-1-3-6-20/h1-9,12,15-16,18-19H,10-11,13-14,17H2,(H,29,32).
What are the key properties of 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide?
1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzoylpiperidin-4-yl)methyl]-N-pyridin-3-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 72771099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).