2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile

C11H7N5 — CID 14089450

IUPAC2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
SMILESN#Cc1cn2c(nc1N)nc1ccccc12
InChIInChI=1S/C11H7N5/c12-5-7-6-16-9-4-2-1-3-8(9)14-11(16)15-10(7)13/h1-4,6H,(H2,13,14,15)
InChIKeyAVFUWLZHHVLNCG-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.34
Rot. Bonds

About 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile

2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile (PubChem CID 14089450) has the molecular formula C11H7N5 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile.

Molecular Properties

Compound Name2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
PubChem CID14089450
Molecular FormulaC11H7N5
Molecular Weight209.21 g/mol
Exact Mass209.07
IUPAC Name2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
SMILESN#Cc1cn2c(nc1N)nc1ccccc12
InChIInChI=1S/C11H7N5/c12-5-7-6-16-9-4-2-1-3-8(9)14-11(16)15-10(7)13/h1-4,6H,(H2,13,14,15)
InChIKeyAVFUWLZHHVLNCG-UHFFFAOYSA-N
XLogP1.34
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile?
The IUPAC name of 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile (CID 14089450) is 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile.
What is the SMILES notation for 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile?
The canonical SMILES for 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile is N#Cc1cn2c(nc1N)nc1ccccc12.
What is the InChIKey of 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile?
The InChIKey is AVFUWLZHHVLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5/c12-5-7-6-16-9-4-2-1-3-8(9)14-11(16)15-10(7)13/h1-4,6H,(H2,13,14,15).
What are the key properties of 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile?
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile has a molecular weight of 209.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile is sourced from PubChem (CID 14089450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).