ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole

C18H29FN2 — CID 176685423

IUPACethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
SMILESCC.CCc1nc2c(n1C(C)C)=CCC(C(C)C)=CC=2F
InChIInChI=1S/C16H23FN2.C2H6/c1-6-15-18-16-13(17)9-12(10(2)3)7-8-14(16)19(15)11(4)5;1-2/h8-11H,6-7H2,1-5H3;1-2H3
InChIKeyBKHRXRBXPJXNST-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.90
Rot. Bonds3

About ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole

ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole (PubChem CID 176685423) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Nameethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
PubChem CID176685423
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Nameethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
SMILESCC.CCc1nc2c(n1C(C)C)=CCC(C(C)C)=CC=2F
InChIInChI=1S/C16H23FN2.C2H6/c1-6-15-18-16-13(17)9-12(10(2)3)7-8-14(16)19(15)11(4)5;1-2/h8-11H,6-7H2,1-5H3;1-2H3
InChIKeyBKHRXRBXPJXNST-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-Cyclopropyl-5-(1,2-difluoroprop-2-enylidene)-4-ethylideneimidazol-2-yl]-3-azabicyclo[4.4.1]undeca-3,5,7,9-tetraene
CID 123685021
(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
N-[(3E)-6-fluoro-3,4-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-N',2-dimethyl-N-propylbutanimidamide
CID 130439459
2-ethyl-1-methyl-5-(trifluoromethyl)-8,8a-dihydro-7H-cyclohepta[d]imidazole
CID 146359504
2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685424
2-[8-fluoro-3,6-di(propan-2-yl)-7H-cyclohepta[d]imidazol-2-yl]propan-2-ol
CID 176685667
2-[2-(3,3-difluoroazetidin-1-yl)propan-2-yl]-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685695
2-[2-(azetidin-1-yl)propan-2-yl]-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685776
6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
CID 176685557
4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685572
4-fluoro-2-(3-fluorooxetan-3-yl)-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole
CID 176685852
(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]-2-prop-2-enylimidazol-4-ylidene]methanamine
CID 135136862

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole?
The IUPAC name of ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole (CID 176685423) is ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole.
What is the SMILES notation for ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole?
The canonical SMILES for ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole is CC.CCc1nc2c(n1C(C)C)=CCC(C(C)C)=CC=2F.
What is the InChIKey of ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole?
The InChIKey is BKHRXRBXPJXNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2.C2H6/c1-6-15-18-16-13(17)9-12(10(2)3)7-8-14(16)19(15)11(4)5;1-2/h8-11H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole?
ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole has a molecular weight of 292.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-fluoro-1,6-di(propan-2-yl)-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 176685423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).