5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one

C21H25N3O — CID 126572539

IUPAC5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one
SMILESCCCn1c(C2CC2)nc2ccc(-c3cc(CC)c(=O)n(C)c3)cc21
InChIInChI=1S/C21H25N3O/c1-4-10-24-19-12-16(8-9-18(19)22-20(24)15-6-7-15)17-11-14(5-2)21(25)23(3)13-17/h8-9,11-13,15H,4-7,10H2,1-3H3
InChIKeyVSWOAHVTYPRVBS-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.25
Rot. Bonds5

About 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one

5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one (PubChem CID 126572539) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one
PubChem CID126572539
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one
SMILESCCCn1c(C2CC2)nc2ccc(-c3cc(CC)c(=O)n(C)c3)cc21
InChIInChI=1S/C21H25N3O/c1-4-10-24-19-12-16(8-9-18(19)22-20(24)15-6-7-15)17-11-14(5-2)21(25)23(3)13-17/h8-9,11-13,15H,4-7,10H2,1-3H3
InChIKeyVSWOAHVTYPRVBS-UHFFFAOYSA-N
XLogP4.25
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-cyclohexyl-3-(2-methoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 157220948
5-[3-(2-ethoxypropyl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 135306884
1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582741
5-[3-(2-ethoxy-2-hydroxypropyl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 154976939
5-[2-(4,4-difluorocyclohexyl)-3-[(2S)-2-methoxypropyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane
CID 158770711
1,3-dimethyl-5-[2-(oxolan-3-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582821
5-[2-(3,3-difluorocyclobutyl)-3-(2-ethoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 135306899
6-bromo-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)ethyl]benzimidazole;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 159329509
6-bromo-2-cyclopropyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole;tert-butyl N-[5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
CID 158713016
5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 126582733
tert-butyl N-[2-[2-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(oxan-4-yl)benzimidazol-1-yl]ethoxy]ethyl]carbamate
CID 176893483
tert-butyl 10-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]piperidin-1-yl]decanoate
CID 176893476

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one?
The IUPAC name of 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one (CID 126572539) is 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one?
The canonical SMILES for 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one is CCCn1c(C2CC2)nc2ccc(-c3cc(CC)c(=O)n(C)c3)cc21.
What is the InChIKey of 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one?
The InChIKey is VSWOAHVTYPRVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-10-24-19-12-16(8-9-18(19)22-20(24)15-6-7-15)17-11-14(5-2)21(25)23(3)13-17/h8-9,11-13,15H,4-7,10H2,1-3H3.
What are the key properties of 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one?
5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one has a molecular weight of 335.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one is sourced from PubChem (CID 126572539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).