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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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).