5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole

C16H20ClN3 — CID 63144239

IUPAC5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
SMILESCCC1(c2nc3cc(Cl)ccc3n2C2CC2)CCNC1
InChIInChI=1S/C16H20ClN3/c1-2-16(7-8-18-10-16)15-19-13-9-11(17)3-6-14(13)20(15)12-4-5-12/h3,6,9,12,18H,2,4-5,7-8,10H2,1H3
InChIKeyCUMJFEIGFFHEGR-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.67
Rot. Bonds3

About 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole

5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole (PubChem CID 63144239) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
PubChem CID63144239
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole
SMILESCCC1(c2nc3cc(Cl)ccc3n2C2CC2)CCNC1
InChIInChI=1S/C16H20ClN3/c1-2-16(7-8-18-10-16)15-19-13-9-11(17)3-6-14(13)20(15)12-4-5-12/h3,6,9,12,18H,2,4-5,7-8,10H2,1H3
InChIKeyCUMJFEIGFFHEGR-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole (CID 63144239) is 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole is CCC1(c2nc3cc(Cl)ccc3n2C2CC2)CCNC1.
What is the InChIKey of 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole?
The InChIKey is CUMJFEIGFFHEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-16(7-8-18-10-16)15-19-13-9-11(17)3-6-14(13)20(15)12-4-5-12/h3,6,9,12,18H,2,4-5,7-8,10H2,1H3.
What are the key properties of 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole?
5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole has a molecular weight of 289.81 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopropyl-2-(3-ethylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 63144239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).