2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile

C15H15N5 — CID 102811455

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile
SMILESCCc1nn(C)cc1-c1nc2c(C#N)cccc2n1C
InChIInChI=1S/C15H15N5/c1-4-12-11(9-19(2)18-12)15-17-14-10(8-16)6-5-7-13(14)20(15)3/h5-7,9H,4H2,1-3H3
InChIKeyGSCRURBPZVJBBQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.41
Rot. Bonds2

About 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile

2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 102811455) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID102811455
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile
SMILESCCc1nn(C)cc1-c1nc2c(C#N)cccc2n1C
InChIInChI=1S/C15H15N5/c1-4-12-11(9-19(2)18-12)15-17-14-10(8-16)6-5-7-13(14)20(15)3/h5-7,9H,4H2,1-3H3
InChIKeyGSCRURBPZVJBBQ-UHFFFAOYSA-N
XLogP2.41
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile (CID 102811455) is 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile is CCc1nn(C)cc1-c1nc2c(C#N)cccc2n1C.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is GSCRURBPZVJBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-4-12-11(9-19(2)18-12)15-17-14-10(8-16)6-5-7-13(14)20(15)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile?
2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 102811455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).