6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole

C13H17FN2 — CID 176685557

IUPAC6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
SMILESCCC1=CC(F)=c2ncn(C(C)C)c2=CC1
InChIInChI=1S/C13H17FN2/c1-4-10-5-6-12-13(11(14)7-10)15-8-16(12)9(2)3/h6-9H,4-5H2,1-3H3
InChIKeyRKFLUGZJIWCVIU-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.06
Rot. Bonds2

About 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole

6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole (PubChem CID 176685557) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
PubChem CID176685557
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
SMILESCCC1=CC(F)=c2ncn(C(C)C)c2=CC1
InChIInChI=1S/C13H17FN2/c1-4-10-5-6-12-13(11(14)7-10)15-8-16(12)9(2)3/h6-9H,4-5H2,1-3H3
InChIKeyRKFLUGZJIWCVIU-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole
CID 146359471
2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685424
4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685572
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
CID 123707000
1-Butyl-5-methyl-3a,4-dihydrobenzimidazole
CID 134239411
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
CID 134239526
6-Methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole
CID 139297563
(5E)-5-[(2Z)-4-methylpenta-2,4-dienylidene]-1-propan-2-yl-4H-imidazole
CID 142991698
1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
CID 144897685
6-methyl-8aH-cyclohepta[d]imidazole-3-carbonitrile
CID 146594044

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole?
The IUPAC name of 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole (CID 176685557) is 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole?
The canonical SMILES for 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole is CCC1=CC(F)=c2ncn(C(C)C)c2=CC1.
What is the InChIKey of 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole?
The InChIKey is RKFLUGZJIWCVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-4-10-5-6-12-13(11(14)7-10)15-8-16(12)9(2)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole?
6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole has a molecular weight of 220.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 176685557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).