5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole

C10H12N2 — CID 135246009

IUPAC5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=CC(C)C=c2nc[nH]c2=C1
InChIInChI=1S/C10H12N2/c1-7-3-8(2)5-10-9(4-7)11-6-12-10/h3-7H,1-2H3,(H,11,12)
InChIKeyFZUWJVHSMRHBDW-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.57
Rot. Bonds

About 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole

5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole (PubChem CID 135246009) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole
PubChem CID135246009
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=CC(C)C=c2nc[nH]c2=C1
InChIInChI=1S/C10H12N2/c1-7-3-8(2)5-10-9(4-7)11-6-12-10/h3-7H,1-2H3,(H,11,12)
InChIKeyFZUWJVHSMRHBDW-UHFFFAOYSA-N
XLogP0.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
The IUPAC name of 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole (CID 135246009) is 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole is CC1=CC(C)C=c2nc[nH]c2=C1.
What is the InChIKey of 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
The InChIKey is FZUWJVHSMRHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-3-8(2)5-10-9(4-7)11-6-12-10/h3-7H,1-2H3,(H,11,12).
What are the key properties of 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole has a molecular weight of 160.22 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3,7-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 135246009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).