3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine

C19H13Cl2FN4 — CID 68721205

IUPAC3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine
SMILESCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2cc(F)ccc21
InChIInChI=1S/C19H13Cl2FN4/c1-26-17-7-4-13(22)9-16(17)25-19(26)11-8-15(21)18(23-10-11)24-14-5-2-12(20)3-6-14/h2-10H,1H3,(H,23,24)
InChIKeyDPKKXSAYRRTWPP-UHFFFAOYSA-N
MW387.25 g/mol
LogP5.82
Rot. Bonds3

About 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine

3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine (PubChem CID 68721205) has the molecular formula C19H13Cl2FN4 and a molecular weight of 387.25 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine
PubChem CID68721205
Molecular FormulaC19H13Cl2FN4
Molecular Weight387.25 g/mol
Exact Mass386.05
IUPAC Name3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine
SMILESCn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2cc(F)ccc21
InChIInChI=1S/C19H13Cl2FN4/c1-26-17-7-4-13(22)9-16(17)25-19(26)11-8-15(21)18(23-10-11)24-14-5-2-12(20)3-6-14/h2-10H,1H3,(H,23,24)
InChIKeyDPKKXSAYRRTWPP-UHFFFAOYSA-N
XLogP5.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.25
LogP ≤ 55.82
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-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine (CID 68721205) is 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine is Cn1c(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)nc2cc(F)ccc21.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine?
The InChIKey is DPKKXSAYRRTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4/c1-26-17-7-4-13(22)9-16(17)25-19(26)11-8-15(21)18(23-10-11)24-14-5-2-12(20)3-6-14/h2-10H,1H3,(H,23,24).
What are the key properties of 3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine?
3-chloro-N-(4-chlorophenyl)-5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine has a molecular weight of 387.25 g/mol, XLogP of 5.82, 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-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 68721205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).