4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

C11H11ClN2 — CID 12515598

IUPAC4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESClC1CCCn2c1nc1ccccc12
InChIInChI=1S/C11H11ClN2/c12-8-4-3-7-14-10-6-2-1-5-9(10)13-11(8)14/h1-2,5-6,8H,3-4,7H2
InChIKeyKLJFVZQJYHXXLV-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.11
Rot. Bonds

About 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 12515598) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID12515598
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESClC1CCCn2c1nc1ccccc12
InChIInChI=1S/C11H11ClN2/c12-8-4-3-7-14-10-6-2-1-5-9(10)13-11(8)14/h1-2,5-6,8H,3-4,7H2
InChIKeyKLJFVZQJYHXXLV-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (CID 12515598) is 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is ClC1CCCn2c1nc1ccccc12.
What is the InChIKey of 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is KLJFVZQJYHXXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-8-4-3-7-14-10-6-2-1-5-9(10)13-11(8)14/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 12515598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).