5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole

C13H16ClN3 — CID 118142630

IUPAC5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCc1c(Cl)ccc2[nH]c(C3(C)CCCN3)nc12
InChIInChI=1S/C13H16ClN3/c1-8-9(14)4-5-10-11(8)17-12(16-10)13(2)6-3-7-15-13/h4-5,15H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyITFDEQAHMJTBKT-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.12
Rot. Bonds1

About 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole

5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole (PubChem CID 118142630) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
PubChem CID118142630
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
SMILESCc1c(Cl)ccc2[nH]c(C3(C)CCCN3)nc12
InChIInChI=1S/C13H16ClN3/c1-8-9(14)4-5-10-11(8)17-12(16-10)13(2)6-3-7-15-13/h4-5,15H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyITFDEQAHMJTBKT-UHFFFAOYSA-N
XLogP3.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
The IUPAC name of 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole (CID 118142630) is 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole is Cc1c(Cl)ccc2[nH]c(C3(C)CCCN3)nc12.
What is the InChIKey of 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
The InChIKey is ITFDEQAHMJTBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8-9(14)4-5-10-11(8)17-12(16-10)13(2)6-3-7-15-13/h4-5,15H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole?
5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole has a molecular weight of 249.74 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 118142630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).