2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

C20H13N3O2 — CID 1484504

IUPAC2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1ccc(O)c(C(=O)c2cc(C#N)c3nc4ccccc4n3c2)c1
InChIInChI=1S/C20H13N3O2/c1-12-6-7-18(24)15(8-12)19(25)14-9-13(10-21)20-22-16-4-2-3-5-17(16)23(20)11-14/h2-9,11,24H,1H3
InChIKeyDMQIXLDNRATNBD-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.60
Rot. Bonds2

About 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 1484504) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID1484504
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1ccc(O)c(C(=O)c2cc(C#N)c3nc4ccccc4n3c2)c1
InChIInChI=1S/C20H13N3O2/c1-12-6-7-18(24)15(8-12)19(25)14-9-13(10-21)20-22-16-4-2-3-5-17(16)23(20)11-14/h2-9,11,24H,1H3
InChIKeyDMQIXLDNRATNBD-UHFFFAOYSA-N
XLogP3.60
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 1484504) is 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1ccc(O)c(C(=O)c2cc(C#N)c3nc4ccccc4n3c2)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is DMQIXLDNRATNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c1-12-6-7-18(24)15(8-12)19(25)14-9-13(10-21)20-22-16-4-2-3-5-17(16)23(20)11-14/h2-9,11,24H,1H3.
What are the key properties of 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 327.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylbenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 1484504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).