1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole

C17H22FN3 — CID 63144241

IUPAC1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3c(F)cccc3n2C2CC2)CCNC1
InChIInChI=1S/C17H22FN3/c1-2-8-17(9-10-19-11-17)16-20-15-13(18)4-3-5-14(15)21(16)12-6-7-12/h3-5,12,19H,2,6-11H2,1H3
InChIKeyLAYXVSMFXFCSLI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.54
Rot. Bonds4

About 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole

1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole (PubChem CID 63144241) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
PubChem CID63144241
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3c(F)cccc3n2C2CC2)CCNC1
InChIInChI=1S/C17H22FN3/c1-2-8-17(9-10-19-11-17)16-20-15-13(18)4-3-5-14(15)21(16)12-6-7-12/h3-5,12,19H,2,6-11H2,1H3
InChIKeyLAYXVSMFXFCSLI-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)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

1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole
CID 63125197
4-fluoro-1-propyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144070
1-cyclopropyl-5-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144709
6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 115473331
5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
CID 63144239
4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 84796160
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine
CID 61290898
2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
CID 84796157
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 55164403
1-cyclopropyl-2-(3-ethylpiperidin-3-yl)-5-fluorobenzimidazole
CID 63133597
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole (CID 63144241) is 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole is CCCC1(c2nc3c(F)cccc3n2C2CC2)CCNC1.
What is the InChIKey of 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The InChIKey is LAYXVSMFXFCSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-2-8-17(9-10-19-11-17)16-20-15-13(18)4-3-5-14(15)21(16)12-6-7-12/h3-5,12,19H,2,6-11H2,1H3.
What are the key properties of 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole?
1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole has a molecular weight of 287.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 63144241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).