2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

C16H17N5 — CID 65040549

IUPAC2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCc1c(-c2nc3cc(C#N)ccc3n2C(C)C)cnn1C
InChIInChI=1S/C16H17N5/c1-10(2)21-15-6-5-12(8-17)7-14(15)19-16(21)13-9-18-20(4)11(13)3/h5-7,9-10H,1-4H3
InChIKeyLYZUPDIMBDONQV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (PubChem CID 65040549) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
PubChem CID65040549
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCc1c(-c2nc3cc(C#N)ccc3n2C(C)C)cnn1C
InChIInChI=1S/C16H17N5/c1-10(2)21-15-6-5-12(8-17)7-14(15)19-16(21)13-9-18-20(4)11(13)3/h5-7,9-10H,1-4H3
InChIKeyLYZUPDIMBDONQV-UHFFFAOYSA-N
XLogP3.20
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (CID 65040549) is 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is Cc1c(-c2nc3cc(C#N)ccc3n2C(C)C)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is LYZUPDIMBDONQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-10(2)21-15-6-5-12(8-17)7-14(15)19-16(21)13-9-18-20(4)11(13)3/h5-7,9-10H,1-4H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).