6-methyl-3,7-dihydrocyclohepta[d]imidazole

C9H10N2 — CID 147459699

IUPAC6-methyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=CC=c2[nH]cnc2=CC1
InChIInChI=1S/C9H10N2/c1-7-2-4-8-9(5-3-7)11-6-10-8/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyDZROMLGXLKXRAX-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.32
Rot. Bonds

About 6-methyl-3,7-dihydrocyclohepta[d]imidazole

6-methyl-3,7-dihydrocyclohepta[d]imidazole (PubChem CID 147459699) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 6-methyl-3,7-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name6-methyl-3,7-dihydrocyclohepta[d]imidazole
PubChem CID147459699
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name6-methyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=CC=c2[nH]cnc2=CC1
InChIInChI=1S/C9H10N2/c1-7-2-4-8-9(5-3-7)11-6-10-8/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyDZROMLGXLKXRAX-UHFFFAOYSA-N
XLogP0.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-methyl-3,7-dihydrocyclohepta[d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,7-dihydrocyclohepta[d]imidazole?
The IUPAC name of 6-methyl-3,7-dihydrocyclohepta[d]imidazole (CID 147459699) is 6-methyl-3,7-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 6-methyl-3,7-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 6-methyl-3,7-dihydrocyclohepta[d]imidazole is CC1=CC=c2[nH]cnc2=CC1.
What is the InChIKey of 6-methyl-3,7-dihydrocyclohepta[d]imidazole?
The InChIKey is DZROMLGXLKXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-2-4-8-9(5-3-7)11-6-10-8/h2,4-6H,3H2,1H3,(H,10,11).
What are the key properties of 6-methyl-3,7-dihydrocyclohepta[d]imidazole?
6-methyl-3,7-dihydrocyclohepta[d]imidazole has a molecular weight of 146.19 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,7-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 147459699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).