2,6,7a-trimethyl-1,3a-dihydrobenzimidazole

C10H14N2 — CID 143428044

IUPAC2,6,7a-trimethyl-1,3a-dihydrobenzimidazole
SMILESCC1=CC2(C)NC(C)=NC2C=C1
InChIInChI=1S/C10H14N2/c1-7-4-5-9-10(3,6-7)12-8(2)11-9/h4-6,9H,1-3H3,(H,11,12)
InChIKeyXNLKNMVPCVDGGH-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.65
Rot. Bonds

About 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole

2,6,7a-trimethyl-1,3a-dihydrobenzimidazole (PubChem CID 143428044) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole.

Molecular Properties

Compound Name2,6,7a-trimethyl-1,3a-dihydrobenzimidazole
PubChem CID143428044
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,6,7a-trimethyl-1,3a-dihydrobenzimidazole
SMILESCC1=CC2(C)NC(C)=NC2C=C1
InChIInChI=1S/C10H14N2/c1-7-4-5-9-10(3,6-7)12-8(2)11-9/h4-6,9H,1-3H3,(H,11,12)
InChIKeyXNLKNMVPCVDGGH-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 144315719
6-(difluoromethyl)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144415080
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
2-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 58755520
2-methyl-N'-propan-2-yl-3a,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 58856209
2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole
CID 59585993
(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
CID 70224389
2,3,7a-trimethyl-3aH-benzimidazole
CID 70330879
6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 70333893

Frequently Asked Questions

What is the IUPAC name of 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole?
The IUPAC name of 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole (CID 143428044) is 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole.
What is the SMILES notation for 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole?
The canonical SMILES for 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole is CC1=CC2(C)NC(C)=NC2C=C1.
What is the InChIKey of 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole?
The InChIKey is XNLKNMVPCVDGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-4-5-9-10(3,6-7)12-8(2)11-9/h4-6,9H,1-3H3,(H,11,12).
What are the key properties of 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole?
2,6,7a-trimethyl-1,3a-dihydrobenzimidazole has a molecular weight of 162.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7a-trimethyl-1,3a-dihydrobenzimidazole is sourced from PubChem (CID 143428044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).