2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine

C19H14ClF2N5 — CID 118101521

IUPAC2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
SMILESCc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14ClF2N5/c1-10-24-16-8-14(21)15(22)9-17(16)27(10)19-7-12(23)6-18(26-19)25-13-4-2-11(20)3-5-13/h2-9H,1H3,(H3,23,25,26)
InChIKeyUZARMRWYEXTKKO-UHFFFAOYSA-N
MW385.81 g/mol
LogP4.99
Rot. Bonds3

About 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine

2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine (PubChem CID 118101521) has the molecular formula C19H14ClF2N5 and a molecular weight of 385.81 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
PubChem CID118101521
Molecular FormulaC19H14ClF2N5
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
SMILESCc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14ClF2N5/c1-10-24-16-8-14(21)15(22)9-17(16)27(10)19-7-12(23)6-18(26-19)25-13-4-2-11(20)3-5-13/h2-9H,1H3,(H3,23,25,26)
InChIKeyUZARMRWYEXTKKO-UHFFFAOYSA-N
XLogP4.99
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine (CID 118101521) is 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine is Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine?
The InChIKey is UZARMRWYEXTKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5/c1-10-24-16-8-14(21)15(22)9-17(16)27(10)19-7-12(23)6-18(26-19)25-13-4-2-11(20)3-5-13/h2-9H,1H3,(H3,23,25,26).
What are the key properties of 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine?
2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine has a molecular weight of 385.81 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine is sourced from PubChem (CID 118101521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).