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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Related Compounds

2-Mercaptobenzimidazole
CID 707035
2-Hydroxy benzimidazole
CID 11985
5-(Acetoacetylamino)benzimidazolone
CID 117822
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
6-Amino-2-mercaptobenzimidazole
CID 2734002
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-Phenyl-1H-benzimidazol-2-YL hydrosulfide
CID 720852
5-Amino-2-hydroxybenzimidazole
CID 66765
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710

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).