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

C26H21F2N5O — CID 10411795

IUPAC1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESO=C(Nc1ccc(F)cc1F)N[C@H](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)/t23-/m1/s1
InChIKeyJZBDUKNRWKGIPH-HSZRJFAPSA-N
MW457.48 g/mol
LogP5.94
Rot. Bonds6

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

1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (PubChem CID 10411795) has the molecular formula C26H21F2N5O and a molecular weight of 457.48 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
PubChem CID10411795
Molecular FormulaC26H21F2N5O
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC Name1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
SMILESO=C(Nc1ccc(F)cc1F)N[C@H](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)/t23-/m1/s1
InChIKeyJZBDUKNRWKGIPH-HSZRJFAPSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea (CID 10411795) is 1-(2,4-difluorophenyl)-3-[(1R)-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-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is O=C(Nc1ccc(F)cc1F)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
The InChIKey is JZBDUKNRWKGIPH-HSZRJFAPSA-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)/t23-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[(1R)-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-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea is sourced from PubChem (CID 10411795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).