3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine

C18H18Cl2N4 — CID 24785223

IUPAC3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine
SMILESCCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4/c1-3-8-24-11-12(2)22-18(24)13-9-16(20)17(21-10-13)23-15-6-4-14(19)5-7-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)
InChIKeyDGGVSYPBSIIZRQ-UHFFFAOYSA-N
MW361.28 g/mol
LogP5.71
Rot. Bonds5

About 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine

3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine (PubChem CID 24785223) has the molecular formula C18H18Cl2N4 and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine
PubChem CID24785223
Molecular FormulaC18H18Cl2N4
Molecular Weight361.28 g/mol
Exact Mass360.09
IUPAC Name3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine
SMILESCCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4/c1-3-8-24-11-12(2)22-18(24)13-9-16(20)17(21-10-13)23-15-6-4-14(19)5-7-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,23)
InChIKeyDGGVSYPBSIIZRQ-UHFFFAOYSA-N
XLogP5.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.28
LogP ≤ 55.71
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-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine (CID 24785223) is 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine is CCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine?
The InChIKey is DGGVSYPBSIIZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4/c1-3-8-24-11-12(2)22-18(24)13-9-16(20)17(21-10-13)23-15-6-4-14(19)5-7-15/h4-7,9-11H,3,8H2,1-2H3,(H,21,23).
What are the key properties of 3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine?
3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine has a molecular weight of 361.28 g/mol, XLogP of 5.71, 5 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-(4-methyl-1-propylimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 24785223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).