5-ethyl-1,5-dihydrocyclohepta[d]imidazole

C10H12N2 — CID 90804615

IUPAC5-ethyl-1,5-dihydrocyclohepta[d]imidazole
SMILESCCC1C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C10H12N2/c1-2-8-4-3-5-9-10(6-8)12-7-11-9/h3-8H,2H2,1H3,(H,11,12)
InChIKeyMEYFYKLRZJPPJJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.57
Rot. Bonds1

About 5-ethyl-1,5-dihydrocyclohepta[d]imidazole

5-ethyl-1,5-dihydrocyclohepta[d]imidazole (PubChem CID 90804615) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-ethyl-1,5-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Name5-ethyl-1,5-dihydrocyclohepta[d]imidazole
PubChem CID90804615
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-ethyl-1,5-dihydrocyclohepta[d]imidazole
SMILESCCC1C=CC=c2[nH]cnc2=C1
InChIInChI=1S/C10H12N2/c1-2-8-4-3-5-9-10(6-8)12-7-11-9/h3-8H,2H2,1H3,(H,11,12)
InChIKeyMEYFYKLRZJPPJJ-UHFFFAOYSA-N
XLogP0.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
CID 70866026
6-ethyl-5,6-dihydro-1H-benzimidazole
CID 89554317
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
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
5-methyl-1H-cyclohepta[d]imidazol-5-amine
CID 134404990
(4E,5E)-4-ethylidene-5-propylidene-1H-imidazole
CID 134444617
N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine
CID 134504066
4-methyl-3a,4-dihydro-1H-benzimidazole
CID 134546157
5,7-Dimethyl-3,7-dihydrocyclohepta[d]imidazole
CID 135246009

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,5-dihydrocyclohepta[d]imidazole?
The IUPAC name of 5-ethyl-1,5-dihydrocyclohepta[d]imidazole (CID 90804615) is 5-ethyl-1,5-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for 5-ethyl-1,5-dihydrocyclohepta[d]imidazole?
The canonical SMILES for 5-ethyl-1,5-dihydrocyclohepta[d]imidazole is CCC1C=CC=c2[nH]cnc2=C1.
What is the InChIKey of 5-ethyl-1,5-dihydrocyclohepta[d]imidazole?
The InChIKey is MEYFYKLRZJPPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-4-3-5-9-10(6-8)12-7-11-9/h3-8H,2H2,1H3,(H,11,12).
What are the key properties of 5-ethyl-1,5-dihydrocyclohepta[d]imidazole?
5-ethyl-1,5-dihydrocyclohepta[d]imidazole has a molecular weight of 160.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,5-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 90804615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).