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

C22H26N4O2 — CID 110225300

IUPAC2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCCn1c(C)nc2cc(C(=O)N3CCCC(c4cc(=O)cc(C)[nH]4)C3)ccc21
InChIInChI=1S/C22H26N4O2/c1-4-26-15(3)24-20-11-16(7-8-21(20)26)22(28)25-9-5-6-17(13-25)19-12-18(27)10-14(2)23-19/h7-8,10-12,17H,4-6,9,13H2,1-3H3,(H,23,27)
InChIKeyJZOPGONRMSBNFZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.38
Rot. Bonds3

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

2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 110225300) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
PubChem CID110225300
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCCn1c(C)nc2cc(C(=O)N3CCCC(c4cc(=O)cc(C)[nH]4)C3)ccc21
InChIInChI=1S/C22H26N4O2/c1-4-26-15(3)24-20-11-16(7-8-21(20)26)22(28)25-9-5-6-17(13-25)19-12-18(27)10-14(2)23-19/h7-8,10-12,17H,4-6,9,13H2,1-3H3,(H,23,27)
InChIKeyJZOPGONRMSBNFZ-UHFFFAOYSA-N
XLogP3.38
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one
CID 110225304
2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 110225032
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804
2-methyl-6-(1-methylpiperidin-3-yl)-1H-pyridin-4-one
CID 110269144
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
N-[(4S,5S)-1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110162803
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
(1-ethyl-2-methylbenzimidazol-5-yl)-[(4S,5S)-4-hydroxy-5-imidazol-1-ylazepan-1-yl]methanone
CID 110163626
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one (CID 110225300) is 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one is CCn1c(C)nc2cc(C(=O)N3CCCC(c4cc(=O)cc(C)[nH]4)C3)ccc21.
What is the InChIKey of 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is JZOPGONRMSBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-26-15(3)24-20-11-16(7-8-21(20)26)22(28)25-9-5-6-17(13-25)19-12-18(27)10-14(2)23-19/h7-8,10-12,17H,4-6,9,13H2,1-3H3,(H,23,27).
What are the key properties of 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 378.48 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 110225300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).