6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole

C14H18ClN3 — CID 113316608

IUPAC6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
SMILESCCn1c(C2(C)CCCN2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-3-18-12-9-10(15)5-6-11(12)17-13(18)14(2)7-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyKKNDRQWROODNKF-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.31
Rot. Bonds2

About 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole

6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole (PubChem CID 113316608) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
PubChem CID113316608
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole
SMILESCCn1c(C2(C)CCCN2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3/c1-3-18-12-9-10(15)5-6-11(12)17-13(18)14(2)7-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyKKNDRQWROODNKF-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole?
The IUPAC name of 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole (CID 113316608) is 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole.
What is the SMILES notation for 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole?
The canonical SMILES for 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole is CCn1c(C2(C)CCCN2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole?
The InChIKey is KKNDRQWROODNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-18-12-9-10(15)5-6-11(12)17-13(18)14(2)7-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole?
6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole has a molecular weight of 263.77 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2-(2-methylpyrrolidin-2-yl)benzimidazole is sourced from PubChem (CID 113316608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).