5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole

C11H13ClN2 — CID 123904557

IUPAC5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
SMILESCCC1=C(Cl)C=c2c(ncn2C)=CC1
InChIInChI=1S/C11H13ClN2/c1-3-8-4-5-10-11(6-9(8)12)14(2)7-13-10/h5-7H,3-4H2,1-2H3
InChIKeyOKECYRIHEBGGIE-UHFFFAOYSA-N
MW208.69 g/mol
LogP1.29
Rot. Bonds1

About 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole

5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole (PubChem CID 123904557) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
PubChem CID123904557
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
SMILESCCC1=C(Cl)C=c2c(ncn2C)=CC1
InChIInChI=1S/C11H13ClN2/c1-3-8-4-5-10-11(6-9(8)12)14(2)7-13-10/h5-7H,3-4H2,1-2H3
InChIKeyOKECYRIHEBGGIE-UHFFFAOYSA-N
XLogP1.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
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
6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
CID 123707000
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
1,4-Dimethyl-5,6-dihydrobenzimidazole;ethane
CID 144237869
1,4-Dimethyl-5,6-dihydrobenzimidazole
CID 144237870
1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
CID 144897685
(4E,5E)-5-(2-chloropropylidene)-4-ethylidene-1-methylimidazole
CID 144669703
1,4-dimethyl-7H-cyclohepta[d]imidazole
CID 144897686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole?
The IUPAC name of 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole (CID 123904557) is 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole?
The canonical SMILES for 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole is CCC1=C(Cl)C=c2c(ncn2C)=CC1.
What is the InChIKey of 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole?
The InChIKey is OKECYRIHEBGGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-3-8-4-5-10-11(6-9(8)12)14(2)7-13-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole?
5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole has a molecular weight of 208.69 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 123904557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).