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

C19H14ClFN4O — CID 10316980

IUPAC3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cccc(-c2cnc(N)c(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1
InChIInChI=1S/C19H14ClFN4O/c1-26-12-4-2-3-10(5-12)11-6-13(18(22)23-9-11)19-24-16-7-14(20)15(21)8-17(16)25-19/h2-9H,1H3,(H2,22,23)(H,24,25)
InChIKeyTWWBQGYWZTWEHB-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.68
Rot. Bonds3

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

3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine (PubChem CID 10316980) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine
PubChem CID10316980
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cccc(-c2cnc(N)c(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1
InChIInChI=1S/C19H14ClFN4O/c1-26-12-4-2-3-10(5-12)11-6-13(18(22)23-9-11)19-24-16-7-14(20)15(21)8-17(16)25-19/h2-9H,1H3,(H2,22,23)(H,24,25)
InChIKeyTWWBQGYWZTWEHB-UHFFFAOYSA-N
XLogP4.68
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine (CID 10316980) is 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine is COc1cccc(-c2cnc(N)c(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1.
What is the InChIKey of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine?
The InChIKey is TWWBQGYWZTWEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c1-26-12-4-2-3-10(5-12)11-6-13(18(22)23-9-11)19-24-16-7-14(20)15(21)8-17(16)25-19/h2-9H,1H3,(H2,22,23)(H,24,25).
What are the key properties of 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine?
3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine has a molecular weight of 368.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 10316980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).