5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile

C19H15N5 — CID 94962125

IUPAC5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile
SMILESCc1nc2cc(-c3cc(C#N)nn3-c3ccccc3)ccc2n1C
InChIInChI=1S/C19H15N5/c1-13-21-17-10-14(8-9-18(17)23(13)2)19-11-15(12-20)22-24(19)16-6-4-3-5-7-16/h3-11H,1-2H3
InChIKeyAKVIZXVUJVAFEW-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.61
Rot. Bonds2

About 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile

5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile (PubChem CID 94962125) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile
PubChem CID94962125
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile
SMILESCc1nc2cc(-c3cc(C#N)nn3-c3ccccc3)ccc2n1C
InChIInChI=1S/C19H15N5/c1-13-21-17-10-14(8-9-18(17)23(13)2)19-11-15(12-20)22-24(19)16-6-4-3-5-7-16/h3-11H,1-2H3
InChIKeyAKVIZXVUJVAFEW-UHFFFAOYSA-N
XLogP3.61
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220295
5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile
CID 82220312
1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
CID 94962234
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
5-(4-tert-butylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 94962087
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carbonitrile
CID 94962081
4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
CID 116865150
5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220131
1-phenyl-5-propan-2-ylpyrazole-3-carbonitrile
CID 39242818
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
CID 82220313

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile?
The IUPAC name of 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile (CID 94962125) is 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile?
The canonical SMILES for 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile is Cc1nc2cc(-c3cc(C#N)nn3-c3ccccc3)ccc2n1C.
What is the InChIKey of 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile?
The InChIKey is AKVIZXVUJVAFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-13-21-17-10-14(8-9-18(17)23(13)2)19-11-15(12-20)22-24(19)16-6-4-3-5-7-16/h3-11H,1-2H3.
What are the key properties of 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile?
5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile is sourced from PubChem (CID 94962125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).