5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole

C15H18ClN3 — CID 63719848

IUPAC5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
SMILESCC1CNCC1c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C15H18ClN3/c1-9-7-17-8-12(9)15-18-13-6-10(16)2-5-14(13)19(15)11-3-4-11/h2,5-6,9,11-12,17H,3-4,7-8H2,1H3
InChIKeyMJQGMTOPNLWHNP-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.35
Rot. Bonds2

About 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole

5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole (PubChem CID 63719848) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
PubChem CID63719848
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole
SMILESCC1CNCC1c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C15H18ClN3/c1-9-7-17-8-12(9)15-18-13-6-10(16)2-5-14(13)19(15)11-3-4-11/h2,5-6,9,11-12,17H,3-4,7-8H2,1H3
InChIKeyMJQGMTOPNLWHNP-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.35
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-(4-methylpyrrolidin-3-yl)benzimidazole?
The IUPAC name of 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole (CID 63719848) is 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole.
What is the SMILES notation for 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole?
The canonical SMILES for 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole is CC1CNCC1c1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole?
The InChIKey is MJQGMTOPNLWHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9-7-17-8-12(9)15-18-13-6-10(16)2-5-14(13)19(15)11-3-4-11/h2,5-6,9,11-12,17H,3-4,7-8H2,1H3.
What are the key properties of 5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole?
5-chloro-1-cyclopropyl-2-(4-methylpyrrolidin-3-yl)benzimidazole has a molecular weight of 275.78 g/mol, XLogP of 3.35, 2 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-(4-methylpyrrolidin-3-yl)benzimidazole is sourced from PubChem (CID 63719848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).