6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine

C11H11N5 — CID 118184961

IUPAC6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
SMILESCn1cc(-c2ccc3nc(N)[nH]c3c2)cn1
InChIInChI=1S/C11H11N5/c1-16-6-8(5-13-16)7-2-3-9-10(4-7)15-11(12)14-9/h2-6H,1H3,(H3,12,14,15)
InChIKeyQYTUKECKCFUMQM-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.55
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine

6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine (PubChem CID 118184961) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
PubChem CID118184961
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
SMILESCn1cc(-c2ccc3nc(N)[nH]c3c2)cn1
InChIInChI=1S/C11H11N5/c1-16-6-8(5-13-16)7-2-3-9-10(4-7)15-11(12)14-9/h2-6H,1H3,(H3,12,14,15)
InChIKeyQYTUKECKCFUMQM-UHFFFAOYSA-N
XLogP1.55
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine (CID 118184961) is 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine is Cn1cc(-c2ccc3nc(N)[nH]c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine?
The InChIKey is QYTUKECKCFUMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-6-8(5-13-16)7-2-3-9-10(4-7)15-11(12)14-9/h2-6H,1H3,(H3,12,14,15).
What are the key properties of 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine?
6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine has a molecular weight of 213.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 118184961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).