3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile

C13H11N5 — CID 113444313

IUPAC3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
SMILESCn1nccc1-c1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C13H11N5/c1-17-12-7-9(8-14)3-4-10(12)16-13(17)11-5-6-15-18(11)2/h3-7H,1-2H3
InChIKeyCDOWQLLEFCNTPU-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.85
Rot. Bonds1

About 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile

3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile (PubChem CID 113444313) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
PubChem CID113444313
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
SMILESCn1nccc1-c1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C13H11N5/c1-17-12-7-9(8-14)3-4-10(12)16-13(17)11-5-6-15-18(11)2/h3-7H,1-2H3
InChIKeyCDOWQLLEFCNTPU-UHFFFAOYSA-N
XLogP1.85
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614
2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444304
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104786693

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile (CID 113444313) is 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile is Cn1nccc1-c1nc2ccc(C#N)cc2n1C.
What is the InChIKey of 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is CDOWQLLEFCNTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-17-12-7-9(8-14)3-4-10(12)16-13(17)11-5-6-15-18(11)2/h3-7H,1-2H3.
What are the key properties of 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile?
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 237.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 113444313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).