1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

C19H10ClN5O — CID 137089119

IUPAC1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESN#Cc1c(-c2cc(Cl)ccc2O)c(C#N)c2nc3ccccc3n2c1N
InChIInChI=1S/C19H10ClN5O/c20-10-5-6-16(26)11(7-10)17-12(8-21)18(23)25-15-4-2-1-3-14(15)24-19(25)13(17)9-22/h1-7,26H,23H2
InChIKeyWEASQWZUYUQXDO-UHFFFAOYSA-N
MW359.78 g/mol
LogP3.84
Rot. Bonds1

About 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (PubChem CID 137089119) has the molecular formula C19H10ClN5O and a molecular weight of 359.78 g/mol. Its IUPAC name is 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.

Molecular Properties

Compound Name1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
PubChem CID137089119
Molecular FormulaC19H10ClN5O
Molecular Weight359.78 g/mol
Exact Mass359.06
IUPAC Name1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
SMILESN#Cc1c(-c2cc(Cl)ccc2O)c(C#N)c2nc3ccccc3n2c1N
InChIInChI=1S/C19H10ClN5O/c20-10-5-6-16(26)11(7-10)17-12(8-21)18(23)25-15-4-2-1-3-14(15)24-19(25)13(17)9-22/h1-7,26H,23H2
InChIKeyWEASQWZUYUQXDO-UHFFFAOYSA-N
XLogP3.84
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 15210133
2-[(5-chloro-2-hydroxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1113010
4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)-N-(3-hydroxypropyl)benzamide
CID 56673359
ethyl 4-cyano-1-(2,4-dichlorophenyl)pyrido[1,2-a]benzimidazole-3-carboxylate
CID 122225998
1-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 21208647
5-(4-chlorophenyl)-4-oxo-2,3-dihydro-1H-benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 135029459
1-(2-hydroxyanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 950637
1-[bis(2-hydroxyethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4157319
16-[4-(4-chlorophenyl)piperazin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 1042673
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6028558
1-chloro-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 53363414
1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The IUPAC name of 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile (CID 137089119) is 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile.
What is the SMILES notation for 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The canonical SMILES for 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is N#Cc1c(-c2cc(Cl)ccc2O)c(C#N)c2nc3ccccc3n2c1N.
What is the InChIKey of 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
The InChIKey is WEASQWZUYUQXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN5O/c20-10-5-6-16(26)11(7-10)17-12(8-21)18(23)25-15-4-2-1-3-14(15)24-19(25)13(17)9-22/h1-7,26H,23H2.
What are the key properties of 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile?
1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile has a molecular weight of 359.78 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chloro-2-hydroxyphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile is sourced from PubChem (CID 137089119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).