1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea

C26H21F2N5O — CID 20756647

IUPAC1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESO=C(Nc1ccc(F)cc1F)NC(Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C26H21F2N5O/c27-18-10-11-22(20(28)13-18)32-26(34)33-23(12-17-14-29-21-9-5-4-8-19(17)21)25-30-15-24(31-25)16-6-2-1-3-7-16/h1-11,13-15,23,29H,12H2,(H,30,31)(H2,32,33,34)
InChIKeyJZBDUKNRWKGIPH-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.94
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea

1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (PubChem CID 20756647) has the molecular formula C26H21F2N5O and a molecular weight of 457.48 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
PubChem CID20756647
Molecular FormulaC26H21F2N5O
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESO=C(Nc1ccc(F)cc1F)NC(Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C26H21F2N5O/c27-18-10-11-22(20(28)13-18)32-26(34)33-23(12-17-14-29-21-9-5-4-8-19(17)21)25-30-15-24(31-25)16-6-2-1-3-7-16/h1-11,13-15,23,29H,12H2,(H,30,31)(H2,32,33,34)
InChIKeyJZBDUKNRWKGIPH-UHFFFAOYSA-N
XLogP5.94
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]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

N-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-2-carboxamide
CID 22573945
tert-butyl N-[(1R)-2-(5,6-difluoro-1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 59410544
N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 53482264
CID 161183001
CID 161183001
ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 155266711
1-(2,4-difluorophenyl)-3-[1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]urea
CID 42707352
N-[(2R)-3-(4,4a-dihydronaphthalen-1-yl)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 59817417
9H-fluoren-9-ylmethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-naphthalen-2-yl-1-oxobutan-2-yl]carbamate
CID 126558984
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
N-[(2R)-2-(1-benzothiophen-3-yl)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamoyl]cyclopropyl]piperidine-4-carboxamide
CID 148787483
2-[2-[(1S)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]-2-methylpropanoic acid
CID 20756586
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (CID 20756647) is 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is O=C(Nc1ccc(F)cc1F)NC(Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The InChIKey is JZBDUKNRWKGIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O/c27-18-10-11-22(20(28)13-18)32-26(34)33-23(12-17-14-29-21-9-5-4-8-19(17)21)25-30-15-24(31-25)16-6-2-1-3-7-16/h1-11,13-15,23,29H,12H2,(H,30,31)(H2,32,33,34).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea has a molecular weight of 457.48 g/mol, XLogP of 5.94, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is sourced from PubChem (CID 20756647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).