6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one

C20H17N5O — CID 9025127

IUPAC6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(-n3cnc4ccccc43)cc2)c(=O)c1
InChIInChI=1S/C20H17N5O/c1-14-10-19(21)25(20(26)11-14)23-12-15-6-8-16(9-7-15)24-13-22-17-4-2-3-5-18(17)24/h2-13H,21H2,1H3/b23-12-
InChIKeyUUERUPYBNYVVIM-FMCGGJTJSA-N
MW343.39 g/mol
LogP2.96
Rot. Bonds3

About 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one (PubChem CID 9025127) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one
PubChem CID9025127
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCc1cc(N)n(/N=C\c2ccc(-n3cnc4ccccc43)cc2)c(=O)c1
InChIInChI=1S/C20H17N5O/c1-14-10-19(21)25(20(26)11-14)23-12-15-6-8-16(9-7-15)24-13-22-17-4-2-3-5-18(17)24/h2-13H,21H2,1H3/b23-12-
InChIKeyUUERUPYBNYVVIM-FMCGGJTJSA-N
XLogP2.96
TPSA78.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(benzimidazol-1-yl)benzaldehyde
CID 737733
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
CID 9025043
6-amino-4-methyl-1-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridin-2-one
CID 9024577
6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024322
1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine
CID 130177862
6-amino-1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025080
6-amino-1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
CID 9024918
1-(benzylideneamino)-4,6-dimethylpyridin-2-one
CID 909651
6-amino-4-methyl-1-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]pyridin-2-one
CID 9024345
6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025204
6-amino-4-methyl-1-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-2-one
CID 9397818

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one (CID 9025127) is 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one is Cc1cc(N)n(/N=C\c2ccc(-n3cnc4ccccc43)cc2)c(=O)c1.
What is the InChIKey of 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one?
The InChIKey is UUERUPYBNYVVIM-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-10-19(21)25(20(26)11-14)23-12-15-6-8-16(9-7-15)24-13-22-17-4-2-3-5-18(17)24/h2-13H,21H2,1H3/b23-12-.
What are the key properties of 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one has a molecular weight of 343.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 9025127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).