6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine

C9H13N3 — CID 174847268

IUPAC6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine
SMILESCC1(C)C=Cc2nc(N)[nH]c2C1
InChIInChI=1S/C9H13N3/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-4H,5H2,1-2H3,(H3,10,11,12)
InChIKeyDKKLQGYQLWBEDW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.59
Rot. Bonds

About 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine

6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine (PubChem CID 174847268) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine.

Molecular Properties

Compound Name6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine
PubChem CID174847268
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine
SMILESCC1(C)C=Cc2nc(N)[nH]c2C1
InChIInChI=1S/C9H13N3/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-4H,5H2,1-2H3,(H3,10,11,12)
InChIKeyDKKLQGYQLWBEDW-UHFFFAOYSA-N
XLogP1.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole
CID 88870246
6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole
CID 123357032
6-Fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole
CID 123456855
6-fluoro-2,4-dimethyl-6,7-dihydro-1H-benzimidazole
CID 123870600
4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine
CID 126607252
6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole
CID 149388956
5-Chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole
CID 155183804
6-Ethenyl-5-fluoro-6-methyl-1,7-dihydrobenzimidazole
CID 164067909
Dihydroimidazobenzimidazole
CID 129781536
7-Amino-2,3-dihydroimidazobenzimidazole
CID 164185836
Dihydroimidazobenzimidazole dihydrobromide
CID 164185857
5-ethyl-4-[(Z)-3-fluoroprop-1-enyl]-2-methyl-1H-imidazole
CID 143212675

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine?
The IUPAC name of 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine (CID 174847268) is 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine.
What is the SMILES notation for 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine?
The canonical SMILES for 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine is CC1(C)C=Cc2nc(N)[nH]c2C1.
What is the InChIKey of 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine?
The InChIKey is DKKLQGYQLWBEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-4H,5H2,1-2H3,(H3,10,11,12).
What are the key properties of 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine?
6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,7-dihydrobenzimidazol-2-amine is sourced from PubChem (CID 174847268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).