(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile

C19H11N3O2 — CID 135496360

IUPAC(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)/c(=C\O)c(=O)n2c1nc1ccccc12
InChIInChI=1S/C19H11N3O2/c20-10-13-17(12-6-2-1-3-7-12)14(11-23)19(24)22-16-9-5-4-8-15(16)21-18(13)22/h1-9,11,23H/b14-11+
InChIKeyMGUCSMQREHCPNT-SDNWHVSQSA-N
MW313.32 g/mol
LogP2.40
Rot. Bonds1

About (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile

(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 135496360) has the molecular formula C19H11N3O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID135496360
Molecular FormulaC19H11N3O2
Molecular Weight313.32 g/mol
Exact Mass313.09
IUPAC Name(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)/c(=C\O)c(=O)n2c1nc1ccccc12
InChIInChI=1S/C19H11N3O2/c20-10-13-17(12-6-2-1-3-7-12)14(11-23)19(24)22-16-9-5-4-8-15(16)21-18(13)22/h1-9,11,23H/b14-11+
InChIKeyMGUCSMQREHCPNT-SDNWHVSQSA-N
XLogP2.40
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-1-oxo-3-phenyl-2-[[4-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 110273484
(2E)-2-[(4-hydroxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 171979540
4-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methylamino]benzoic acid
CID 5079058
(2Z)-2-[(4-acetylanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 18526788
2-phenyl-1,3-bis[(triphenyl-lambda5-phosphanylidene)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 14221177
(2Z)-2-[[(5-bromo-2,1,3-benzothiadiazol-6-yl)amino]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 56690443
2-[(2-hydroxy-5-methylanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1082020
(2Z)-2-[(3-hydroxy-1-benzothiophen-2-yl)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 135452034
2-[[(E)-(4-cyano-1-oxo-3-phenylpyrido[1,2-a]benzimidazol-2-ylidene)methyl]amino]-4-methoxy-5-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]benzenesulfonic acid
CID 58611282
2-[5-cyano-3-[(E)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl acetate
CID 135572000
5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide
CID 135699107
2-[(5-chloro-2-hydroxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1113010

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 135496360) is (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile is N#Cc1c(-c2ccccc2)/c(=C\O)c(=O)n2c1nc1ccccc12.
What is the InChIKey of (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is MGUCSMQREHCPNT-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H11N3O2/c20-10-13-17(12-6-2-1-3-7-12)14(11-23)19(24)22-16-9-5-4-8-15(16)21-18(13)22/h1-9,11,23H/b14-11+.
What are the key properties of (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 313.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 135496360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).