3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane

C21H26Cl2N4 — CID 143551035

IUPAC3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane
SMILESCC.CCc1nc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n(CC)c1C
InChIInChI=1S/C19H20Cl2N4.C2H6/c1-4-17-12(3)25(5-2)19(24-17)13-10-16(21)18(22-11-13)23-15-8-6-14(20)7-9-15;1-2/h6-11H,4-5H2,1-3H3,(H,22,23);1-2H3
InChIKeyVGLWPIUXERRIEI-UHFFFAOYSA-N
MW405.37 g/mol
LogP6.91
Rot. Bonds5

About 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane

3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane (PubChem CID 143551035) has the molecular formula C21H26Cl2N4 and a molecular weight of 405.37 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane
PubChem CID143551035
Molecular FormulaC21H26Cl2N4
Molecular Weight405.37 g/mol
Exact Mass404.15
IUPAC Name3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane
SMILESCC.CCc1nc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n(CC)c1C
InChIInChI=1S/C19H20Cl2N4.C2H6/c1-4-17-12(3)25(5-2)19(24-17)13-10-16(21)18(22-11-13)23-15-8-6-14(20)7-9-15;1-2/h6-11H,4-5H2,1-3H3,(H,22,23);1-2H3
InChIKeyVGLWPIUXERRIEI-UHFFFAOYSA-N
XLogP6.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 56.91
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-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane (CID 143551035) is 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane is CC.CCc1nc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)n(CC)c1C.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane?
The InChIKey is VGLWPIUXERRIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4.C2H6/c1-4-17-12(3)25(5-2)19(24-17)13-10-16(21)18(22-11-13)23-15-8-6-14(20)7-9-15;1-2/h6-11H,4-5H2,1-3H3,(H,22,23);1-2H3.
What are the key properties of 3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane?
3-chloro-N-(4-chlorophenyl)-5-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane has a molecular weight of 405.37 g/mol, XLogP of 6.91, 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-(1,4-diethyl-5-methylimidazol-2-yl)pyridin-2-amine;ethane is sourced from PubChem (CID 143551035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).