2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one

C22H26N4O2 — CID 110225304

IUPAC2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCCN(C(=O)c3ccc4nc(C(C)C)[nH]c4c3)C2)[nH]1
InChIInChI=1S/C22H26N4O2/c1-13(2)21-24-18-7-6-15(10-20(18)25-21)22(28)26-8-4-5-16(12-26)19-11-17(27)9-14(3)23-19/h6-7,9-11,13,16H,4-5,8,12H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyMLWSRNATQNEEER-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.70
Rot. Bonds3

About 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one

2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one (PubChem CID 110225304) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one
PubChem CID110225304
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CCCN(C(=O)c3ccc4nc(C(C)C)[nH]c4c3)C2)[nH]1
InChIInChI=1S/C22H26N4O2/c1-13(2)21-24-18-7-6-15(10-20(18)25-21)22(28)26-8-4-5-16(12-26)19-11-17(27)9-14(3)23-19/h6-7,9-11,13,16H,4-5,8,12H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyMLWSRNATQNEEER-UHFFFAOYSA-N
XLogP3.70
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one with MolForge

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Related Compounds

2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 110225032
2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 110225300
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331
(2-methyl-3H-benzimidazol-5-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246184
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
CID 110801893
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
2-methyl-6-(1-methylpiperidin-3-yl)-1H-pyridin-4-one
CID 110269144
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one (CID 110225304) is 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one is Cc1cc(=O)cc(C2CCCN(C(=O)c3ccc4nc(C(C)C)[nH]c4c3)C2)[nH]1.
What is the InChIKey of 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one?
The InChIKey is MLWSRNATQNEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13(2)21-24-18-7-6-15(10-20(18)25-21)22(28)26-8-4-5-16(12-26)19-11-17(27)9-14(3)23-19/h6-7,9-11,13,16H,4-5,8,12H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one?
2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one has a molecular weight of 378.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 110225304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).