2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole

C16H21N3O — CID 75131970

IUPAC2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCN(C4CCC4)C3)[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-20-13-5-6-14-15(9-13)18-16(17-14)11-7-8-19(10-11)12-3-2-4-12/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyUAEBASDJOLJWLI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds3

About 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole

2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole (PubChem CID 75131970) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
PubChem CID75131970
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CCN(C4CCC4)C3)[nH]c2c1
InChIInChI=1S/C16H21N3O/c1-20-13-5-6-14-15(9-13)18-16(17-14)11-7-8-19(10-11)12-3-2-4-12/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyUAEBASDJOLJWLI-UHFFFAOYSA-N
XLogP2.91
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole 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

6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
CID 75131980
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175069852
2-[(3R,4S)-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)piperidin-4-yl]acetic acid
CID 125417766
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
2-[(3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-methoxy-1H-benzimidazole
CID 170441730
4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
CID 102628130
(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 129432836

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole (CID 75131970) is 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(C3CCN(C4CCC4)C3)[nH]c2c1.
What is the InChIKey of 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole?
The InChIKey is UAEBASDJOLJWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-13-5-6-14-15(9-13)18-16(17-14)11-7-8-19(10-11)12-3-2-4-12/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole?
2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole has a molecular weight of 271.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 75131970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).