3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride

C19H16ClFN4O — CID 44532881

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride
SMILESCOc1cccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)c1.Cl
InChIInChI=1S/C19H15FN4O.ClH/c1-25-14-4-2-3-11(7-14)12-8-15(18(21)22-10-12)19-23-16-6-5-13(20)9-17(16)24-19;/h2-10H,1H3,(H2,21,22)(H,23,24);1H
InChIKeyORVMZVRWCAUWHJ-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.44
Rot. Bonds3

About 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride

3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride (PubChem CID 44532881) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride
PubChem CID44532881
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride
SMILESCOc1cccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)c1.Cl
InChIInChI=1S/C19H15FN4O.ClH/c1-25-14-4-2-3-11(7-14)12-8-15(18(21)22-10-12)19-23-16-6-5-13(20)9-17(16)24-19;/h2-10H,1H3,(H2,21,22)(H,23,24);1H
InChIKeyORVMZVRWCAUWHJ-UHFFFAOYSA-N
XLogP4.44
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride (CID 44532881) is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride is COc1cccc(-c2cnc(N)c(-c3nc4ccc(F)cc4[nH]3)c2)c1.Cl.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride?
The InChIKey is ORVMZVRWCAUWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O.ClH/c1-25-14-4-2-3-11(7-14)12-8-15(18(21)22-10-12)19-23-16-6-5-13(20)9-17(16)24-19;/h2-10H,1H3,(H2,21,22)(H,23,24);1H.
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride?
3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride has a molecular weight of 370.82 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 44532881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).