2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

C15H15N5 — CID 65040408

IUPAC2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(-c2cnn(C)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H15N5/c1-10(2)20-14-5-4-11(7-16)6-13(14)18-15(20)12-8-17-19(3)9-12/h4-6,8-10H,1-3H3
InChIKeyCCTJQSJIUGCUQH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.89
Rot. Bonds2

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

2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (PubChem CID 65040408) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
PubChem CID65040408
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(-c2cnn(C)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H15N5/c1-10(2)20-14-5-4-11(7-16)6-13(14)18-15(20)12-8-17-19(3)9-12/h4-6,8-10H,1-3H3
InChIKeyCCTJQSJIUGCUQH-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (CID 65040408) is 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is CC(C)n1c(-c2cnn(C)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is CCTJQSJIUGCUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10(2)20-14-5-4-11(7-16)6-13(14)18-15(20)12-8-17-19(3)9-12/h4-6,8-10H,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).