1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea

C24H21F3N4O2 — CID 42818883

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1ccco1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)19-8-10-20(11-9-19)29-23(32)31(16-21-7-4-14-33-21)17-22-28-12-13-30(22)15-18-5-2-1-3-6-18/h1-14H,15-17H2,(H,29,32)
InChIKeyPBMWQIKFJMVYAA-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.78
Rot. Bonds7

About 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea

1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 42818883) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID42818883
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1ccco1)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)19-8-10-20(11-9-19)29-23(32)31(16-21-7-4-14-33-21)17-22-28-12-13-30(22)15-18-5-2-1-3-6-18/h1-14H,15-17H2,(H,29,32)
InChIKeyPBMWQIKFJMVYAA-UHFFFAOYSA-N
XLogP5.78
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90495819
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084805
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
CID 1058618
[4-[[(4-chlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4163172
N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42820525
ethyl 3-[(1-benzylimidazol-2-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylate
CID 59438066
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 126711712
1-[[4-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]phenyl]methyl]-1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 139944013

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 42818883) is 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1ccco1)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PBMWQIKFJMVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c25-24(26,27)19-8-10-20(11-9-19)29-23(32)31(16-21-7-4-14-33-21)17-22-28-12-13-30(22)15-18-5-2-1-3-6-18/h1-14H,15-17H2,(H,29,32).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 454.45 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42818883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).