2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole

C10H12N2 — CID 137466708

IUPAC2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=CC=c2[nH]c(C)nc2=CC1
InChIInChI=1S/C10H12N2/c1-7-3-5-9-10(6-4-7)12-8(2)11-9/h3,5-6H,4H2,1-2H3,(H,11,12)
InChIKeyKKKSVZWNNDVSHI-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.63
Rot. Bonds

About 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole

2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole (PubChem CID 137466708) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole
PubChem CID137466708
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=CC=c2[nH]c(C)nc2=CC1
InChIInChI=1S/C10H12N2/c1-7-3-5-9-10(6-4-7)12-8(2)11-9/h3,5-6H,4H2,1-2H3,(H,11,12)
InChIKeyKKKSVZWNNDVSHI-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
The IUPAC name of 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole (CID 137466708) is 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole is CC1=CC=c2[nH]c(C)nc2=CC1.
What is the InChIKey of 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
The InChIKey is KKKSVZWNNDVSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-3-5-9-10(6-4-7)12-8(2)11-9/h3,5-6H,4H2,1-2H3,(H,11,12).
What are the key properties of 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole?
2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole has a molecular weight of 160.22 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,7-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 137466708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).