3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one

C21H16FN7O — CID 135681589

IUPAC3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NCc2ccccn2)c1-c1nc2cc(-n3ccnc3)c(F)cc2[nH]1
InChIInChI=1S/C21H16FN7O/c22-14-9-16-17(10-18(14)29-8-7-23-12-29)28-20(27-16)19-15(4-6-25-21(19)30)26-11-13-3-1-2-5-24-13/h1-10,12H,11H2,(H,27,28)(H2,25,26,30)
InChIKeyMIGIDUNPFFJEEK-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.25
Rot. Bonds5

About 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one

3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one (PubChem CID 135681589) has the molecular formula C21H16FN7O and a molecular weight of 401.41 g/mol. Its IUPAC name is 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
PubChem CID135681589
Molecular FormulaC21H16FN7O
Molecular Weight401.41 g/mol
Exact Mass401.14
IUPAC Name3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NCc2ccccn2)c1-c1nc2cc(-n3ccnc3)c(F)cc2[nH]1
InChIInChI=1S/C21H16FN7O/c22-14-9-16-17(10-18(14)29-8-7-23-12-29)28-20(27-16)19-15(4-6-25-21(19)30)26-11-13-3-1-2-5-24-13/h1-10,12H,11H2,(H,27,28)(H2,25,26,30)
InChIKeyMIGIDUNPFFJEEK-UHFFFAOYSA-N
XLogP3.25
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(hydroxymethyl)-2-pyridinyl]methylamino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681732
3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
CID 135886380
3-[6-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-benzimidazol-2-yl]-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
CID 135681720
2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethylcarbamic acid
CID 135681637
3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyridin-2-one
CID 135681854
4-[(3-hydroxy-3-methyl-1-phenylbutan-2-yl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135553316
4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681763
N-[2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]-1-phenylethyl]benzenesulfonamide
CID 135681930
methyl 2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]-3-phenylpropanoate
CID 135553452
4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135530495
4-[[2-(3-bromo-4-methylphenyl)-2-hydroxyethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681618
4-[[(2R)-1-(3-fluorophenyl)-3-hydroxypropan-2-yl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135450051

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one (CID 135681589) is 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one is O=c1[nH]ccc(NCc2ccccn2)c1-c1nc2cc(-n3ccnc3)c(F)cc2[nH]1.
What is the InChIKey of 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
The InChIKey is MIGIDUNPFFJEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O/c22-14-9-16-17(10-18(14)29-8-7-23-12-29)28-20(27-16)19-15(4-6-25-21(19)30)26-11-13-3-1-2-5-24-13/h1-10,12H,11H2,(H,27,28)(H2,25,26,30).
What are the key properties of 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one?
3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one has a molecular weight of 401.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 135681589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).