4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

C22H17N5O — CID 172762451

IUPAC4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESNc1c(-c2nc3ccc(Cc4ccccn4)cc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C22H17N5O/c23-20-15-6-1-2-7-16(15)27-22(28)19(20)21-25-17-9-8-13(12-18(17)26-21)11-14-5-3-4-10-24-14/h1-10,12H,11H2,(H,25,26)(H3,23,27,28)
InChIKeyLWGLNLJOZWUURF-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.64
Rot. Bonds3

About 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 172762451) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID172762451
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESNc1c(-c2nc3ccc(Cc4ccccn4)cc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C22H17N5O/c23-20-15-6-1-2-7-16(15)27-22(28)19(20)21-25-17-9-8-13(12-18(17)26-21)11-14-5-3-4-10-24-14/h1-10,12H,11H2,(H,25,26)(H3,23,27,28)
InChIKeyLWGLNLJOZWUURF-UHFFFAOYSA-N
XLogP3.64
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-(6-acetyl-1H-benzimidazol-2-yl)-4-amino-1H-quinolin-2-one;2-(4-amino-2-oxo-1H-quinolin-3-yl)-N-ethyl-N-methyl-3H-benzimidazole-5-carboxamide
CID 158946826
4-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-1,7-naphthyridin-2-one
CID 12988792
4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142670757
4-amino-5-fluoro-3-[6-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136599745
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one
CID 136599885
4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135496141
4-amino-3-phenyl-1H-quinolin-2-one
CID 2784967
4-[[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-3H-benzimidazol-5-yl]methylamino]-3-hydroxybutanoic acid
CID 135537692
4-amino-3-(1H-benzimidazol-2-yl)-5-[2-(dimethylamino)ethyl-methylamino]-1H-quinolin-2-one
CID 136599759
2-pyridin-2-yl-3H-benzimidazol-5-amine;trihydrochloride
CID 118989540

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 172762451) is 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is Nc1c(-c2nc3ccc(Cc4ccccn4)cc3[nH]2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is LWGLNLJOZWUURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-20-15-6-1-2-7-16(15)27-22(28)19(20)21-25-17-9-8-13(12-18(17)26-21)11-14-5-3-4-10-24-14/h1-10,12H,11H2,(H,25,26)(H3,23,27,28).
What are the key properties of 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 367.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[6-(pyridin-2-ylmethyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 172762451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).