3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one

C16H22N2O — CID 112632250

IUPAC3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
SMILESCCCc1nc2ccccc2n1CC(=O)C(C)CC
InChIInChI=1S/C16H22N2O/c1-4-8-16-17-13-9-6-7-10-14(13)18(16)11-15(19)12(3)5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyJJGIVLOMQLNJNJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.60
Rot. Bonds6

About 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one

3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one (PubChem CID 112632250) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
PubChem CID112632250
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
SMILESCCCc1nc2ccccc2n1CC(=O)C(C)CC
InChIInChI=1S/C16H22N2O/c1-4-8-16-17-13-9-6-7-10-14(13)18(16)11-15(19)12(3)5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyJJGIVLOMQLNJNJ-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-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

N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 104751637
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
methyl 2-(ethylamino)-3-(2-propylbenzimidazol-1-yl)propanoate
CID 115970954
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
3-methylsulfonyl-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 115781898
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 3279039

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one?
The IUPAC name of 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one (CID 112632250) is 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one?
The canonical SMILES for 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one is CCCc1nc2ccccc2n1CC(=O)C(C)CC.
What is the InChIKey of 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one?
The InChIKey is JJGIVLOMQLNJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-8-16-17-13-9-6-7-10-14(13)18(16)11-15(19)12(3)5-2/h6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one?
3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one has a molecular weight of 258.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one is sourced from PubChem (CID 112632250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).