1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C19H14N4O — CID 628693

IUPAC1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(Nc2ccc(O)cc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C19H14N4O/c1-12-10-18(21-13-6-8-14(24)9-7-13)23-17-5-3-2-4-16(17)22-19(23)15(12)11-20/h2-10,21,24H,1H3
InChIKeyJITAMEWVJZCLBO-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.12
Rot. Bonds2

About 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 628693) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID628693
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(Nc2ccc(O)cc2)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C19H14N4O/c1-12-10-18(21-13-6-8-14(24)9-7-13)23-17-5-3-2-4-16(17)22-19(23)15(12)11-20/h2-10,21,24H,1H3
InChIKeyJITAMEWVJZCLBO-UHFFFAOYSA-N
XLogP4.12
TPSA73.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
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2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
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2-Amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 699547
11-[(2-Hydroxy-5-methylphenyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cy clopenta[1,2-d]pyridine-4-carbonitrile
CID 4149534
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3-(1-(6-amino-2-methylpyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
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CID 53372414
4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenol
CID 699797
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenol
CID 7998239
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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 628693) is 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(Nc2ccc(O)cc2)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is JITAMEWVJZCLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c1-12-10-18(21-13-6-8-14(24)9-7-13)23-17-5-3-2-4-16(17)22-19(23)15(12)11-20/h2-10,21,24H,1H3.
What are the key properties of 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 314.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 628693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).