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

C9H10N2 — CID 91065909

IUPAC8-methyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=c2nc[nH]c2=CC=CC1
InChIInChI=1S/C9H10N2/c1-7-4-2-3-5-8-9(7)11-6-10-8/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyLKBMMJIFOBZFOU-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.32
Rot. Bonds

About 8-methyl-3,7-dihydrocyclohepta[d]imidazole

8-methyl-3,7-dihydrocyclohepta[d]imidazole (PubChem CID 91065909) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 8-methyl-3,7-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name8-methyl-3,7-dihydrocyclohepta[d]imidazole
PubChem CID91065909
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name8-methyl-3,7-dihydrocyclohepta[d]imidazole
SMILESCC1=c2nc[nH]c2=CC=CC1
InChIInChI=1S/C9H10N2/c1-7-4-2-3-5-8-9(7)11-6-10-8/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKeyLKBMMJIFOBZFOU-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

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Related Compounds

[5-(Trifluoromethyl)-3,7-dihydrocyclohepta[d]imidazol-8-yl]methanamine
CID 142937788
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
5,5-dimethyl-1H-cyclohepta[d]imidazole
CID 123139076
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
4-methyl-5,6-dihydro-1H-benzimidazole
CID 130254986
5-methyl-1H-cyclohepta[d]imidazol-5-amine
CID 134404990

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,7-dihydrocyclohepta[d]imidazole?
The IUPAC name of 8-methyl-3,7-dihydrocyclohepta[d]imidazole (CID 91065909) is 8-methyl-3,7-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 8-methyl-3,7-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 8-methyl-3,7-dihydrocyclohepta[d]imidazole is CC1=c2nc[nH]c2=CC=CC1.
What is the InChIKey of 8-methyl-3,7-dihydrocyclohepta[d]imidazole?
The InChIKey is LKBMMJIFOBZFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-4-2-3-5-8-9(7)11-6-10-8/h2-3,5-6H,4H2,1H3,(H,10,11).
What are the key properties of 8-methyl-3,7-dihydrocyclohepta[d]imidazole?
8-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 8-methyl-3,7-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 91065909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).