3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile

C17H10N4 — CID 15113967

IUPAC3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ncn2c1nc1ccccc12
InChIInChI=1S/C17H10N4/c18-10-13-16(12-6-2-1-3-7-12)19-11-21-15-9-5-4-8-14(15)20-17(13)21/h1-9,11H
InChIKeyHFBZJWDVXZJLIT-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.42
Rot. Bonds1

About 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile

3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile (PubChem CID 15113967) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile
PubChem CID15113967
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ncn2c1nc1ccccc12
InChIInChI=1S/C17H10N4/c18-10-13-16(12-6-2-1-3-7-12)19-11-21-15-9-5-4-8-14(15)20-17(13)21/h1-9,11H
InChIKeyHFBZJWDVXZJLIT-UHFFFAOYSA-N
XLogP3.42
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 163388345
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
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5-amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carbonitrile
CID 142426975
3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 5056759
(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 135496360
1-(1-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 142668218
4,6-diphenyl-3,5,10,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 163388415
4,5-diphenyl-1-prop-1-ynylimidazole
CID 170637236
3-phenylcinnoline-4-carbonitrile
CID 10868127
2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1269849
1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 15210133
(9S)-9-methyl-11-phenyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile (CID 15113967) is 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile is N#Cc1c(-c2ccccc2)ncn2c1nc1ccccc12.
What is the InChIKey of 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile?
The InChIKey is HFBZJWDVXZJLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-10-13-16(12-6-2-1-3-7-12)19-11-21-15-9-5-4-8-14(15)20-17(13)21/h1-9,11H.
What are the key properties of 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile?
3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 15113967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).