6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

C17H22ClN3 — CID 115473331

IUPAC6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3ccc(Cl)cc3n2C2CC2)CCNC1
InChIInChI=1S/C17H22ClN3/c1-2-7-17(8-9-19-11-17)16-20-14-6-3-12(18)10-15(14)21(16)13-4-5-13/h3,6,10,13,19H,2,4-5,7-9,11H2,1H3
InChIKeyLXUVIBAYGABXCS-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.06
Rot. Bonds4

About 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole

6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (PubChem CID 115473331) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
PubChem CID115473331
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
SMILESCCCC1(c2nc3ccc(Cl)cc3n2C2CC2)CCNC1
InChIInChI=1S/C17H22ClN3/c1-2-7-17(8-9-19-11-17)16-20-14-6-3-12(18)10-15(14)21(16)13-4-5-13/h3,6,10,13,19H,2,4-5,7-9,11H2,1H3
InChIKeyLXUVIBAYGABXCS-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole (CID 115473331) is 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is CCCC1(c2nc3ccc(Cl)cc3n2C2CC2)CCNC1.
What is the InChIKey of 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
The InChIKey is LXUVIBAYGABXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-7-17(8-9-19-11-17)16-20-14-6-3-12(18)10-15(14)21(16)13-4-5-13/h3,6,10,13,19H,2,4-5,7-9,11H2,1H3.
What are the key properties of 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole?
6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole has a molecular weight of 303.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 115473331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).