ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea

C32H43FN4O2 — CID 91291026

IUPACethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea
SMILESCC.CC.CC.Cc1ccccc1Oc1ccccc1NC(=O)NCCc1cncn1Cc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2.3C2H6/c1-19-7-2-4-11-24(19)33-25-12-5-3-10-23(25)30-26(32)29-14-13-22-16-28-18-31(22)17-20-8-6-9-21(27)15-20;3*1-2/h2-12,15-16,18H,13-14,17H2,1H3,(H2,29,30,32);3*1-2H3
InChIKeyWVFLNRHQQYXXIL-UHFFFAOYSA-N
MW534.72 g/mol
LogP8.61
Rot. Bonds8

About ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea

ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea (PubChem CID 91291026) has the molecular formula C32H43FN4O2 and a molecular weight of 534.72 g/mol. Its IUPAC name is ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea.

Molecular Properties

Compound Nameethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea
PubChem CID91291026
Molecular FormulaC32H43FN4O2
Molecular Weight534.72 g/mol
Exact Mass534.34
IUPAC Nameethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea
SMILESCC.CC.CC.Cc1ccccc1Oc1ccccc1NC(=O)NCCc1cncn1Cc1cccc(F)c1
InChIInChI=1S/C26H25FN4O2.3C2H6/c1-19-7-2-4-11-24(19)33-25-12-5-3-10-23(25)30-26(32)29-14-13-22-16-28-18-31(22)17-20-8-6-9-21(27)15-20;3*1-2/h2-12,15-16,18H,13-14,17H2,1H3,(H2,29,30,32);3*1-2H3
InChIKeyWVFLNRHQQYXXIL-UHFFFAOYSA-N
XLogP8.61
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea 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

ethane;methyl 2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]acetate
CID 90980273
ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
CID 91389513
1-(2-methoxyethyl)-3-[2-(2-methylphenoxy)phenyl]urea
CID 110426455
ethane;1-[(3-fluorophenyl)methyl]-5-(2-isocyanatoethyl)imidazole
CID 90885818
1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
CID 3231748
1-(2,5-dimethylphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951130
ethane;2-[2-[5-[(3-fluorophenyl)methyl]imidazol-1-yl]ethylamino]-N-naphthalen-1-ylacetamide
CID 90791279
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-(2,5-dimethoxyphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951135
N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide
CID 60554186
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea?
The IUPAC name of ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea (CID 91291026) is ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea.
What is the SMILES notation for ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea?
The canonical SMILES for ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea is CC.CC.CC.Cc1ccccc1Oc1ccccc1NC(=O)NCCc1cncn1Cc1cccc(F)c1.
What is the InChIKey of ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea?
The InChIKey is WVFLNRHQQYXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2.3C2H6/c1-19-7-2-4-11-24(19)33-25-12-5-3-10-23(25)30-26(32)29-14-13-22-16-28-18-31(22)17-20-8-6-9-21(27)15-20;3*1-2/h2-12,15-16,18H,13-14,17H2,1H3,(H2,29,30,32);3*1-2H3.
What are the key properties of ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea?
ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea has a molecular weight of 534.72 g/mol, XLogP of 8.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]ethyl]-3-[2-(2-methylphenoxy)phenyl]urea is sourced from PubChem (CID 91291026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).