5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole

C15H20ClN3 — CID 62217192

IUPAC5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
SMILESCn1c(CCC2CCCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-19-14-7-5-11(16)10-13(14)18-15(19)8-6-12-4-2-3-9-17-12/h5,7,10,12,17H,2-4,6,8-9H2,1H3
InChIKeyCOLBAFLBOGYCOX-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.30
Rot. Bonds3

About 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole

5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole (PubChem CID 62217192) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
PubChem CID62217192
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
SMILESCn1c(CCC2CCCCN2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3/c1-19-14-7-5-11(16)10-13(14)18-15(19)8-6-12-4-2-3-9-17-12/h5,7,10,12,17H,2-4,6,8-9H2,1H3
InChIKeyCOLBAFLBOGYCOX-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole (CID 62217192) is 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole is Cn1c(CCC2CCCCN2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The InChIKey is COLBAFLBOGYCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-19-14-7-5-11(16)10-13(14)18-15(19)8-6-12-4-2-3-9-17-12/h5,7,10,12,17H,2-4,6,8-9H2,1H3.
What are the key properties of 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole?
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole has a molecular weight of 277.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole is sourced from PubChem (CID 62217192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).