ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole

C16H25FN2 — CID 91389513

IUPACethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
SMILESCC.CC.CCc1cncn1Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2.2C2H6/c1-2-12-7-14-9-15(12)8-10-4-3-5-11(13)6-10;2*1-2/h3-7,9H,2,8H2,1H3;2*1-2H3
InChIKeyUXRKYQCNZMDYHZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.69
Rot. Bonds3

About ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole

ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole (PubChem CID 91389513) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Nameethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
PubChem CID91389513
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Nameethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
SMILESCC.CC.CCc1cncn1Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2.2C2H6/c1-2-12-7-14-9-15(12)8-10-4-3-5-11(13)6-10;2*1-2/h3-7,9H,2,8H2,1H3;2*1-2H3
InChIKeyUXRKYQCNZMDYHZ-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(3-fluorophenyl)methyl]-5-(2-isocyanatoethyl)imidazole
CID 90885818
ethane;methyl 2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]acetate
CID 90980273
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841
1-benzyl-5-ethylimidazole;ethyl formate
CID 175286771
4-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]-4-methylpiperidine
CID 114717839
1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114717837
[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 121199545
ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea
CID 91291026
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66145704
1-benzyl-5-butylimidazole
CID 10059100
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole?
The IUPAC name of ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole (CID 91389513) is ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole.
What is the SMILES notation for ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole?
The canonical SMILES for ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole is CC.CC.CCc1cncn1Cc1cccc(F)c1.
What is the InChIKey of ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole?
The InChIKey is UXRKYQCNZMDYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.2C2H6/c1-2-12-7-14-9-15(12)8-10-4-3-5-11(13)6-10;2*1-2/h3-7,9H,2,8H2,1H3;2*1-2H3.
What are the key properties of ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole?
ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole has a molecular weight of 264.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 91389513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).