ethane;3-methyl-7H-cyclohepta[d]imidazole

C11H16N2 — CID 145207331

IUPACethane;3-methyl-7H-cyclohepta[d]imidazole
SMILESCC.Cn1cnc2c1=CC=CCC=2
InChIInChI=1S/C9H10N2.C2H6/c1-11-7-10-8-5-3-2-4-6-9(8)11;1-2/h2,4-7H,3H2,1H3;1-2H3
InChIKeyZMRNZAVJRRZRST-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.97
Rot. Bonds

About ethane;3-methyl-7H-cyclohepta[d]imidazole

ethane;3-methyl-7H-cyclohepta[d]imidazole (PubChem CID 145207331) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;3-methyl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Nameethane;3-methyl-7H-cyclohepta[d]imidazole
PubChem CID145207331
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;3-methyl-7H-cyclohepta[d]imidazole
SMILESCC.Cn1cnc2c1=CC=CCC=2
InChIInChI=1S/C9H10N2.C2H6/c1-11-7-10-8-5-3-2-4-6-9(8)11;1-2/h2,4-7H,3H2,1H3;1-2H3
InChIKeyZMRNZAVJRRZRST-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
2-chloro-1-methyl-3aH-cyclohepta[d]imidazole
CID 53653883
1,8a-Dihydroimidazo[1,5-a]pyridine;ethane
CID 90971508
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
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
1-propyl-7H-cyclohepta[d]imidazole
CID 134239217
N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine
CID 134504066

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7H-cyclohepta[d]imidazole?
The IUPAC name of ethane;3-methyl-7H-cyclohepta[d]imidazole (CID 145207331) is ethane;3-methyl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for ethane;3-methyl-7H-cyclohepta[d]imidazole?
The canonical SMILES for ethane;3-methyl-7H-cyclohepta[d]imidazole is CC.Cn1cnc2c1=CC=CCC=2.
What is the InChIKey of ethane;3-methyl-7H-cyclohepta[d]imidazole?
The InChIKey is ZMRNZAVJRRZRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-11-7-10-8-5-3-2-4-6-9(8)11;1-2/h2,4-7H,3H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-7H-cyclohepta[d]imidazole?
ethane;3-methyl-7H-cyclohepta[d]imidazole has a molecular weight of 176.26 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 145207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).