1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile

C16H15N5 — CID 65040130

IUPAC1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
SMILESCc1c(-c2nc3cc(C#N)ccc3n2C2CC2)cnn1C
InChIInChI=1S/C16H15N5/c1-10-13(9-18-20(10)2)16-19-14-7-11(8-17)3-6-15(14)21(16)12-4-5-12/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyDEKNRBDUFYBOCX-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds2

About 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile (PubChem CID 65040130) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
PubChem CID65040130
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
SMILESCc1c(-c2nc3cc(C#N)ccc3n2C2CC2)cnn1C
InChIInChI=1S/C16H15N5/c1-10-13(9-18-20(10)2)16-19-14-7-11(8-17)3-6-15(14)21(16)12-4-5-12/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyDEKNRBDUFYBOCX-UHFFFAOYSA-N
XLogP2.95
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile (CID 65040130) is 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile is Cc1c(-c2nc3cc(C#N)ccc3n2C2CC2)cnn1C.
What is the InChIKey of 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile?
The InChIKey is DEKNRBDUFYBOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10-13(9-18-20(10)2)16-19-14-7-11(8-17)3-6-15(14)21(16)12-4-5-12/h3,6-7,9,12H,4-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65040130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).