2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine

C9H13N3 — CID 70370110

IUPAC2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine
SMILESCC1(C)Nc2cccc(N)c2N1
InChIInChI=1S/C9H13N3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,11-12H,10H2,1-2H3
InChIKeyGBUZQCIJFRVELD-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.84
Rot. Bonds

About 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine

2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine (PubChem CID 70370110) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine
PubChem CID70370110
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine
SMILESCC1(C)Nc2cccc(N)c2N1
InChIInChI=1S/C9H13N3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,11-12H,10H2,1-2H3
InChIKeyGBUZQCIJFRVELD-UHFFFAOYSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.84
H-Bond Donors ≤ 53
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-dimethyl-1,3-dihydrobenzimidazol-4-amine?
The IUPAC name of 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine (CID 70370110) is 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine.
What is the SMILES notation for 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine?
The canonical SMILES for 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine is CC1(C)Nc2cccc(N)c2N1.
What is the InChIKey of 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine?
The InChIKey is GBUZQCIJFRVELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,11-12H,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine?
2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dihydrobenzimidazol-4-amine is sourced from PubChem (CID 70370110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).