2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine

C11H11N5 — CID 28742910

IUPAC2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
SMILESCn1cc(-c2nc3ccc(N)cc3[nH]2)cn1
InChIInChI=1S/C11H11N5/c1-16-6-7(5-13-16)11-14-9-3-2-8(12)4-10(9)15-11/h2-6H,12H2,1H3,(H,14,15)
InChIKeyTXZZLHJJXWLHPX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.55
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine

2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine (PubChem CID 28742910) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
PubChem CID28742910
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine
SMILESCn1cc(-c2nc3ccc(N)cc3[nH]2)cn1
InChIInChI=1S/C11H11N5/c1-16-6-7(5-13-16)11-14-9-3-2-8(12)4-10(9)15-11/h2-6H,12H2,1H3,(H,14,15)
InChIKeyTXZZLHJJXWLHPX-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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Related Compounds

6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
CID 60980673
2-(1-methylpyrazol-4-yl)oxy-3H-benzimidazol-5-amine
CID 116792483
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
CID 118184961
2-[4-(1-methylpyrazol-4-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 162661835
4-(6-amino-1H-benzimidazol-2-yl)phenol
CID 763218
4-(6-amino-1H-benzimidazol-2-yl)phenol dichloride
CID 135987130
2-thiophen-3-yl-3H-benzimidazol-5-amine
CID 24692071
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-(1-methylpyrazol-4-yl)-1,3-benzothiazol-6-amine
CID 66201319
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 50924471

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine (CID 28742910) is 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine is Cn1cc(-c2nc3ccc(N)cc3[nH]2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine?
The InChIKey is TXZZLHJJXWLHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-6-7(5-13-16)11-14-9-3-2-8(12)4-10(9)15-11/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-amine?
2-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-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-4-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 28742910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).