7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole

C16H15Cl2N3 — CID 86629823

IUPAC7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2ccc(Cl)nc2)nc2cccc(Cl)c21
InChIInChI=1S/C16H15Cl2N3/c1-10(2)9-21-15-12(17)4-3-5-13(15)20-16(21)11-6-7-14(18)19-8-11/h3-8,10H,9H2,1-2H3
InChIKeyGRQDOVWITGUTLH-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.06
Rot. Bonds3

About 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole

7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole (PubChem CID 86629823) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole
PubChem CID86629823
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2ccc(Cl)nc2)nc2cccc(Cl)c21
InChIInChI=1S/C16H15Cl2N3/c1-10(2)9-21-15-12(17)4-3-5-13(15)20-16(21)11-6-7-14(18)19-8-11/h3-8,10H,9H2,1-2H3
InChIKeyGRQDOVWITGUTLH-UHFFFAOYSA-N
XLogP5.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole (CID 86629823) is 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(-c2ccc(Cl)nc2)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole?
The InChIKey is GRQDOVWITGUTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10(2)9-21-15-12(17)4-3-5-13(15)20-16(21)11-6-7-14(18)19-8-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole?
7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole has a molecular weight of 320.22 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 86629823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).