2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile

C14H13N5 — CID 104712352

IUPAC2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCc1cc(-c2nc3ccc(C#N)cc3n2C)n(C)n1
InChIInChI=1S/C14H13N5/c1-9-6-13(19(3)17-9)14-16-11-5-4-10(8-15)7-12(11)18(14)2/h4-7H,1-3H3
InChIKeyTZKFJLCUSLBCFJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.15
Rot. Bonds1

About 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile

2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712352) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712352
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCc1cc(-c2nc3ccc(C#N)cc3n2C)n(C)n1
InChIInChI=1S/C14H13N5/c1-9-6-13(19(3)17-9)14-16-11-5-4-10(8-15)7-12(11)18(14)2/h4-7H,1-3H3
InChIKeyTZKFJLCUSLBCFJ-UHFFFAOYSA-N
XLogP2.15
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444304
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104786693
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311
2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712694

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile (CID 104712352) is 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile is Cc1cc(-c2nc3ccc(C#N)cc3n2C)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is TZKFJLCUSLBCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-9-6-13(19(3)17-9)14-16-11-5-4-10(8-15)7-12(11)18(14)2/h4-7H,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile?
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).