1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one

C15H20N2O2 — CID 114874045

IUPAC1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one
SMILESCCC(C)CC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H20N2O2/c1-5-10(2)8-14(18)11-6-7-12-13(9-11)17(4)15(19)16(12)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyWFSYHWKFGBKWPD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds4

About 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one

1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one (PubChem CID 114874045) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one
PubChem CID114874045
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one
SMILESCCC(C)CC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H20N2O2/c1-5-10(2)8-14(18)11-6-7-12-13(9-11)17(4)15(19)16(12)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyWFSYHWKFGBKWPD-UHFFFAOYSA-N
XLogP2.50
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-2-chloropropanoyl]-1,3-dimethylbenzimidazol-2-one
CID 42157586
1,3-dimethyl-5-octanoylbenzimidazol-2-one
CID 62298843
6-(3-methylpentanoyl)-3-propyl-1,3-benzoxazol-2-one
CID 114874044
1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
CID 82498508
2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoethoxy]acetic acid
CID 62300427
5-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1,3-dimethylbenzimidazol-2-one
CID 110801795
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 114873964
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-one
CID 114873952
(E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylpent-2-enoic acid
CID 82124114
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
CID 110800287
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-oxoacetate
CID 112616455

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one (CID 114874045) is 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one is CCC(C)CC(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one?
The InChIKey is WFSYHWKFGBKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-10(2)8-14(18)11-6-7-12-13(9-11)17(4)15(19)16(12)3/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one?
1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylpentanoyl)benzimidazol-2-one is sourced from PubChem (CID 114874045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).