1-benzhydryl-3-(4-phenylphenyl)urea

C26H22N2O — CID 108867015

IUPAC1-benzhydryl-3-(4-phenylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O/c29-26(27-24-18-16-21(17-19-24)20-10-4-1-5-11-20)28-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H,(H2,27,28,29)
InChIKeyDHARMKCOFODVPV-UHFFFAOYSA-N
MW378.48 g/mol
LogP6.26
Rot. Bonds5

About 1-benzhydryl-3-(4-phenylphenyl)urea

1-benzhydryl-3-(4-phenylphenyl)urea (PubChem CID 108867015) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(4-phenylphenyl)urea
PubChem CID108867015
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name1-benzhydryl-3-(4-phenylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O/c29-26(27-24-18-16-21(17-19-24)20-10-4-1-5-11-20)28-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H,(H2,27,28,29)
InChIKeyDHARMKCOFODVPV-UHFFFAOYSA-N
XLogP6.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
4-(benzhydrylcarbamoylamino)benzenesulfonic acid
CID 108867379
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
2-[(4-phenylphenyl)carbamoylamino]propanoic acid
CID 62254578
1-benzhydryl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871724
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
1-benzhydryl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375491
1-benzhydryl-3-(4-decoxyphenyl)urea
CID 4304974
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(4-phenylphenyl)urea?
The IUPAC name of 1-benzhydryl-3-(4-phenylphenyl)urea (CID 108867015) is 1-benzhydryl-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(4-phenylphenyl)urea is O=C(Nc1ccc(-c2ccccc2)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(4-phenylphenyl)urea?
The InChIKey is DHARMKCOFODVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c29-26(27-24-18-16-21(17-19-24)20-10-4-1-5-11-20)28-25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,25H,(H2,27,28,29).
What are the key properties of 1-benzhydryl-3-(4-phenylphenyl)urea?
1-benzhydryl-3-(4-phenylphenyl)urea has a molecular weight of 378.48 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-phenylphenyl)urea is sourced from PubChem (CID 108867015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).