1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one

C17H23N3O — CID 82052731

IUPAC1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)c1nc2ccc(C(=O)CCN3CCCC3)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-12(2)17-18-14-6-5-13(11-15(14)19-17)16(21)7-10-20-8-3-4-9-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyQCECECSXOSHGQM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 82052731) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID82052731
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)c1nc2ccc(C(=O)CCN3CCCC3)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-12(2)17-18-14-6-5-13(11-15(14)19-17)16(21)7-10-20-8-3-4-9-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyQCECECSXOSHGQM-UHFFFAOYSA-N
XLogP3.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-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

1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052621
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
2-(ethylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
CID 96675047
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
CID 110801893
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 82052731) is 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one is CC(C)c1nc2ccc(C(=O)CCN3CCCC3)cc2[nH]1.
What is the InChIKey of 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QCECECSXOSHGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)17-18-14-6-5-13(11-15(14)19-17)16(21)7-10-20-8-3-4-9-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82052731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).