5-chloro-6-piperidin-1-yl-2H-benzimidazole

C12H14ClN3 — CID 10585861

IUPAC5-chloro-6-piperidin-1-yl-2H-benzimidazole
SMILESClc1cc2c(cc1N1CCCCC1)=NCN=2
InChIInChI=1S/C12H14ClN3/c13-9-6-10-11(15-8-14-10)7-12(9)16-4-2-1-3-5-16/h6-7H,1-5,8H2
InChIKeyUXYDCJYUYFQSEC-UHFFFAOYSA-N
MW235.72 g/mol
LogP1.54
Rot. Bonds1

About 5-chloro-6-piperidin-1-yl-2H-benzimidazole

5-chloro-6-piperidin-1-yl-2H-benzimidazole (PubChem CID 10585861) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-chloro-6-piperidin-1-yl-2H-benzimidazole.

Molecular Properties

Compound Name5-chloro-6-piperidin-1-yl-2H-benzimidazole
PubChem CID10585861
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-chloro-6-piperidin-1-yl-2H-benzimidazole
SMILESClc1cc2c(cc1N1CCCCC1)=NCN=2
InChIInChI=1S/C12H14ClN3/c13-9-6-10-11(15-8-14-10)7-12(9)16-4-2-1-3-5-16/h6-7H,1-5,8H2
InChIKeyUXYDCJYUYFQSEC-UHFFFAOYSA-N
XLogP1.54
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-piperidin-1-yl-2H-benzimidazole?
The IUPAC name of 5-chloro-6-piperidin-1-yl-2H-benzimidazole (CID 10585861) is 5-chloro-6-piperidin-1-yl-2H-benzimidazole.
What is the SMILES notation for 5-chloro-6-piperidin-1-yl-2H-benzimidazole?
The canonical SMILES for 5-chloro-6-piperidin-1-yl-2H-benzimidazole is Clc1cc2c(cc1N1CCCCC1)=NCN=2.
What is the InChIKey of 5-chloro-6-piperidin-1-yl-2H-benzimidazole?
The InChIKey is UXYDCJYUYFQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-9-6-10-11(15-8-14-10)7-12(9)16-4-2-1-3-5-16/h6-7H,1-5,8H2.
What are the key properties of 5-chloro-6-piperidin-1-yl-2H-benzimidazole?
5-chloro-6-piperidin-1-yl-2H-benzimidazole has a molecular weight of 235.72 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-piperidin-1-yl-2H-benzimidazole is sourced from PubChem (CID 10585861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).