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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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).