1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole

C11H16N2 — CID 134288755

IUPAC1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole
SMILESCC1=c2nc(C)n(C)c2=CCCC1
InChIInChI=1S/C11H16N2/c1-8-6-4-5-7-10-11(8)12-9(2)13(10)3/h7H,4-6H2,1-3H3
InChIKeyVOYDNSRPYOAHKK-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.86
Rot. Bonds

About 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole

1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole (PubChem CID 134288755) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole
PubChem CID134288755
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole
SMILESCC1=c2nc(C)n(C)c2=CCCC1
InChIInChI=1S/C11H16N2/c1-8-6-4-5-7-10-11(8)12-9(2)13(10)3/h7H,4-6H2,1-3H3
InChIKeyVOYDNSRPYOAHKK-UHFFFAOYSA-N
XLogP0.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole
CID 146359471
1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole
CID 146359473
2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole
CID 146359516
Ethane;5,6,11,12-tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
CID 54254953
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
CID 123707000
1,2,5-trimethyl-5H-cyclohepta[d]imidazole
CID 141840669
(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole;ethane
CID 143526407
1,2-dimethyl-7H-cyclohepta[d]imidazole;ethane
CID 153352083
5,6,11,12-Tetramethyl-4,6-diazatricyclo[7.4.1.13,7]pentadeca-1,3(15),4,7(15),8,10,12-heptaene
CID 54254954
1,2-dimethyl-7H-cyclohepta[d]imidazole
CID 143326537
(4E,5E)-1,2-dimethyl-4,5-di(propylidene)imidazole
CID 143526408

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole?
The IUPAC name of 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole (CID 134288755) is 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole.
What is the SMILES notation for 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole?
The canonical SMILES for 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole is CC1=c2nc(C)n(C)c2=CCCC1.
What is the InChIKey of 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole?
The InChIKey is VOYDNSRPYOAHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-6-4-5-7-10-11(8)12-9(2)13(10)3/h7H,4-6H2,1-3H3.
What are the key properties of 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole?
1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole has a molecular weight of 176.26 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-6,7-dihydro-5H-cyclohepta[d]imidazole is sourced from PubChem (CID 134288755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).