3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile

C13H10N4O — CID 142193038

IUPAC3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile
SMILESCc1c(C#N)nc2n(C)c3ccccc3n2c1=O
InChIInChI=1S/C13H10N4O/c1-8-9(7-14)15-13-16(2)10-5-3-4-6-11(10)17(13)12(8)18/h3-6H,1-2H3
InChIKeyPTVZUKSPYYJKLV-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.37
Rot. Bonds

About 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile

3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile (PubChem CID 142193038) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile
PubChem CID142193038
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile
SMILESCc1c(C#N)nc2n(C)c3ccccc3n2c1=O
InChIInChI=1S/C13H10N4O/c1-8-9(7-14)15-13-16(2)10-5-3-4-6-11(10)17(13)12(8)18/h3-6H,1-2H3
InChIKeyPTVZUKSPYYJKLV-UHFFFAOYSA-N
XLogP1.37
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile?
The IUPAC name of 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile (CID 142193038) is 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile.
What is the SMILES notation for 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile?
The canonical SMILES for 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile is Cc1c(C#N)nc2n(C)c3ccccc3n2c1=O.
What is the InChIKey of 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile?
The InChIKey is PTVZUKSPYYJKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-8-9(7-14)15-13-16(2)10-5-3-4-6-11(10)17(13)12(8)18/h3-6H,1-2H3.
What are the key properties of 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile?
3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile is sourced from PubChem (CID 142193038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).