3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine

C22H20ClFN4O — CID 68721320

IUPAC3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(OC)cc3)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C22H20ClFN4O/c1-3-10-28-20-12-15(24)4-9-19(20)27-22(28)14-11-18(23)21(25-13-14)26-16-5-7-17(29-2)8-6-16/h4-9,11-13H,3,10H2,1-2H3,(H,25,26)
InChIKeyMGVWNVQOMNVNIY-UHFFFAOYSA-N
MW410.88 g/mol
LogP6.05
Rot. Bonds6

About 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine

3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine (PubChem CID 68721320) has the molecular formula C22H20ClFN4O and a molecular weight of 410.88 g/mol. Its IUPAC name is 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine
PubChem CID68721320
Molecular FormulaC22H20ClFN4O
Molecular Weight410.88 g/mol
Exact Mass410.13
IUPAC Name3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine
SMILESCCCn1c(-c2cnc(Nc3ccc(OC)cc3)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C22H20ClFN4O/c1-3-10-28-20-12-15(24)4-9-19(20)27-22(28)14-11-18(23)21(25-13-14)26-16-5-7-17(29-2)8-6-16/h4-9,11-13H,3,10H2,1-2H3,(H,25,26)
InChIKeyMGVWNVQOMNVNIY-UHFFFAOYSA-N
XLogP6.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine (CID 68721320) is 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine is CCCn1c(-c2cnc(Nc3ccc(OC)cc3)c(Cl)c2)nc2ccc(F)cc21.
What is the InChIKey of 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine?
The InChIKey is MGVWNVQOMNVNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O/c1-3-10-28-20-12-15(24)4-9-19(20)27-22(28)14-11-18(23)21(25-13-14)26-16-5-7-17(29-2)8-6-16/h4-9,11-13H,3,10H2,1-2H3,(H,25,26).
What are the key properties of 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine?
3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine has a molecular weight of 410.88 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 68721320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).