2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine

C12H13N5 — CID 125480677

IUPAC2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine
SMILESCc1cc(C)n(-c2nc3ccccc3n2N)n1
InChIInChI=1S/C12H13N5/c1-8-7-9(2)17(15-8)12-14-10-5-3-4-6-11(10)16(12)13/h3-7H,13H2,1-2H3
InChIKeyNYMSQDJOCRMWFJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.55
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine

2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine (PubChem CID 125480677) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine
PubChem CID125480677
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine
SMILESCc1cc(C)n(-c2nc3ccccc3n2N)n1
InChIInChI=1S/C12H13N5/c1-8-7-9(2)17(15-8)12-14-10-5-3-4-6-11(10)16(12)13/h3-7H,13H2,1-2H3
InChIKeyNYMSQDJOCRMWFJ-UHFFFAOYSA-N
XLogP1.55
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine (CID 125480677) is 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine is Cc1cc(C)n(-c2nc3ccccc3n2N)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine?
The InChIKey is NYMSQDJOCRMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-8-7-9(2)17(15-8)12-14-10-5-3-4-6-11(10)16(12)13/h3-7H,13H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine?
2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine has a molecular weight of 227.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)benzimidazol-1-amine is sourced from PubChem (CID 125480677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).