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

C11H6N4 — CID 82401393

IUPACpyrimido[1,2-a]benzimidazole-3-carbonitrile
SMILESN#Cc1cnc2nc3ccccc3n2c1
InChIInChI=1S/C11H6N4/c12-5-8-6-13-11-14-9-3-1-2-4-10(9)15(11)7-8/h1-4,6-7H
InChIKeyUCVSKEWIBRMFMB-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.75
Rot. Bonds

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

pyrimido[1,2-a]benzimidazole-3-carbonitrile (PubChem CID 82401393) has the molecular formula C11H6N4 and a molecular weight of 194.20 g/mol. Its IUPAC name is pyrimido[1,2-a]benzimidazole-3-carbonitrile.

Molecular Properties

Compound Namepyrimido[1,2-a]benzimidazole-3-carbonitrile
PubChem CID82401393
Molecular FormulaC11H6N4
Molecular Weight194.20 g/mol
Exact Mass194.06
IUPAC Namepyrimido[1,2-a]benzimidazole-3-carbonitrile
SMILESN#Cc1cnc2nc3ccccc3n2c1
InChIInChI=1S/C11H6N4/c12-5-8-6-13-11-14-9-3-1-2-4-10(9)15(11)7-8/h1-4,6-7H
InChIKeyUCVSKEWIBRMFMB-UHFFFAOYSA-N
XLogP1.75
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromopyrimido[1,2-a]benzimidazole
CID 28819039
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
4-pyrimido[1,2-a]benzimidazol-3-ylaniline
CID 53339263
3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole
CID 165178310
3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole
CID 44577928
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
CID 12911598
4-(2-chlorobenzimidazol-1-yl)benzonitrile
CID 68907266
3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile
CID 15113967
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide
CID 3661535
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-4-nitrobenzamide
CID 14089463
1-[2-(2-methylsulfonylbenzimidazol-1-yl)ethyl]pyrazole-4-carbonitrile
CID 56805996
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727

Frequently Asked Questions

What is the IUPAC name of pyrimido[1,2-a]benzimidazole-3-carbonitrile?
The IUPAC name of pyrimido[1,2-a]benzimidazole-3-carbonitrile (CID 82401393) is pyrimido[1,2-a]benzimidazole-3-carbonitrile.
What is the SMILES notation for pyrimido[1,2-a]benzimidazole-3-carbonitrile?
The canonical SMILES for pyrimido[1,2-a]benzimidazole-3-carbonitrile is N#Cc1cnc2nc3ccccc3n2c1.
What is the InChIKey of pyrimido[1,2-a]benzimidazole-3-carbonitrile?
The InChIKey is UCVSKEWIBRMFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4/c12-5-8-6-13-11-14-9-3-1-2-4-10(9)15(11)7-8/h1-4,6-7H.
What are the key properties of pyrimido[1,2-a]benzimidazole-3-carbonitrile?
pyrimido[1,2-a]benzimidazole-3-carbonitrile has a molecular weight of 194.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[1,2-a]benzimidazole-3-carbonitrile is sourced from PubChem (CID 82401393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).