2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine

C11H11N5 — CID 136785799

IUPAC2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
SMILESCn1ccc(-c2nc3c(N)cccc3[nH]2)n1
InChIInChI=1S/C11H11N5/c1-16-6-5-9(15-16)11-13-8-4-2-3-7(12)10(8)14-11/h2-6H,12H2,1H3,(H,13,14)
InChIKeyKTLMFKCLMSAKTA-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.55
Rot. Bonds1

About 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine

2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine (PubChem CID 136785799) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
PubChem CID136785799
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
SMILESCn1ccc(-c2nc3c(N)cccc3[nH]2)n1
InChIInChI=1S/C11H11N5/c1-16-6-5-9(15-16)11-13-8-4-2-3-7(12)10(8)14-11/h2-6H,12H2,1H3,(H,13,14)
InChIKeyKTLMFKCLMSAKTA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine (CID 136785799) is 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine is Cn1ccc(-c2nc3c(N)cccc3[nH]2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine?
The InChIKey is KTLMFKCLMSAKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-6-5-9(15-16)11-13-8-4-2-3-7(12)10(8)14-11/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine?
2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-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 2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 136785799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).