2,2-dimethylbenzimidazol-4-amine

C9H11N3 — CID 20537722

IUPAC2,2-dimethylbenzimidazol-4-amine
SMILESCC1(C)N=c2cccc(N)c2=N1
InChIInChI=1S/C9H11N3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5H,10H2,1-2H3
InChIKeyHGXRNTGVJFDQTP-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.26
Rot. Bonds

About 2,2-dimethylbenzimidazol-4-amine

2,2-dimethylbenzimidazol-4-amine (PubChem CID 20537722) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2,2-dimethylbenzimidazol-4-amine.

Molecular Properties

Compound Name2,2-dimethylbenzimidazol-4-amine
PubChem CID20537722
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2,2-dimethylbenzimidazol-4-amine
SMILESCC1(C)N=c2cccc(N)c2=N1
InChIInChI=1S/C9H11N3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5H,10H2,1-2H3
InChIKeyHGXRNTGVJFDQTP-UHFFFAOYSA-N
XLogP0.26
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbenzimidazol-4-amine?
The IUPAC name of 2,2-dimethylbenzimidazol-4-amine (CID 20537722) is 2,2-dimethylbenzimidazol-4-amine.
What is the SMILES notation for 2,2-dimethylbenzimidazol-4-amine?
The canonical SMILES for 2,2-dimethylbenzimidazol-4-amine is CC1(C)N=c2cccc(N)c2=N1.
What is the InChIKey of 2,2-dimethylbenzimidazol-4-amine?
The InChIKey is HGXRNTGVJFDQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5H,10H2,1-2H3.
What are the key properties of 2,2-dimethylbenzimidazol-4-amine?
2,2-dimethylbenzimidazol-4-amine has a molecular weight of 161.21 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbenzimidazol-4-amine is sourced from PubChem (CID 20537722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).