3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine

C16H14Cl2N4 — CID 24784991

IUPAC3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine
SMILESCc1cnc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1C
InChIInChI=1S/C16H14Cl2N4/c1-10-8-20-16(22(10)2)11-7-14(18)15(19-9-11)21-13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,19,21)
InChIKeyVGOLBDFOHREJOB-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.84
Rot. Bonds3

About 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine

3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine (PubChem CID 24784991) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine
PubChem CID24784991
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine
SMILESCc1cnc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1C
InChIInChI=1S/C16H14Cl2N4/c1-10-8-20-16(22(10)2)11-7-14(18)15(19-9-11)21-13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,19,21)
InChIKeyVGOLBDFOHREJOB-UHFFFAOYSA-N
XLogP4.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine (CID 24784991) is 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine is Cc1cnc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n1C.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine?
The InChIKey is VGOLBDFOHREJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c1-10-8-20-16(22(10)2)11-7-14(18)15(19-9-11)21-13-5-3-12(17)4-6-13/h3-9H,1-2H3,(H,19,21).
What are the key properties of 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine?
3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine has a molecular weight of 333.22 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 24784991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).