1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile

C15H15N5 — CID 104720742

IUPAC1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
SMILESCc1nn(C)c(C)c1-c1nc2c(C#N)cccc2n1C
InChIInChI=1S/C15H15N5/c1-9-13(10(2)20(4)18-9)15-17-14-11(8-16)6-5-7-12(14)19(15)3/h5-7H,1-4H3
InChIKeyBCRPTUPFFWMAIS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.46
Rot. Bonds1

About 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile

1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile (PubChem CID 104720742) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
PubChem CID104720742
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
SMILESCc1nn(C)c(C)c1-c1nc2c(C#N)cccc2n1C
InChIInChI=1S/C15H15N5/c1-9-13(10(2)20(4)18-9)15-17-14-11(8-16)6-5-7-12(14)19(15)3/h5-7H,1-4H3
InChIKeyBCRPTUPFFWMAIS-UHFFFAOYSA-N
XLogP2.46
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
CID 104720919
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile
CID 102811455
2-[3-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720712
2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720812
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile?
The IUPAC name of 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile (CID 104720742) is 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile?
The canonical SMILES for 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile is Cc1nn(C)c(C)c1-c1nc2c(C#N)cccc2n1C.
What is the InChIKey of 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile?
The InChIKey is BCRPTUPFFWMAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-9-13(10(2)20(4)18-9)15-17-14-11(8-16)6-5-7-12(14)19(15)3/h5-7H,1-4H3.
What are the key properties of 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile?
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).