1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea

C26H26Cl2N2O — CID 19935194

IUPAC1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H26Cl2N2O/c27-22-13-16-24(28)25(17-22)29-26(31)30(18-19-7-3-1-4-8-19)23-14-11-21(12-15-23)20-9-5-2-6-10-20/h1-10,13,16-17,21,23H,11-12,14-15,18H2,(H,29,31)
InChIKeyARNIBQJZLCXYCT-UHFFFAOYSA-N
MW453.41 g/mol
LogP7.75
Rot. Bonds5

About 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea

1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea (PubChem CID 19935194) has the molecular formula C26H26Cl2N2O and a molecular weight of 453.41 g/mol. Its IUPAC name is 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
PubChem CID19935194
Molecular FormulaC26H26Cl2N2O
Molecular Weight453.41 g/mol
Exact Mass452.14
IUPAC Name1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccccc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H26Cl2N2O/c27-22-13-16-24(28)25(17-22)29-26(31)30(18-19-7-3-1-4-8-19)23-14-11-21(12-15-23)20-9-5-2-6-10-20/h1-10,13,16-17,21,23H,11-12,14-15,18H2,(H,29,31)
InChIKeyARNIBQJZLCXYCT-UHFFFAOYSA-N
XLogP7.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.41
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 34205276
1-(1-benzylpiperidin-4-yl)-3-(2,5-dichlorophenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 20908150
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
1-benzyl-3-[2,6-di(propan-2-yl)phenyl]-1-(4-phenylcyclohexyl)urea
CID 3072996
1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea
CID 79113332
1-[(2-chlorophenyl)methyl]-3-(2,6-diethylphenyl)-1-(4-phenylcyclohexyl)urea
CID 19935176
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(2-chloro-5-methoxyphenyl)urea
CID 140907556
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
CID 138755485
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
CID 60535262

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea?
The IUPAC name of 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea (CID 19935194) is 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea?
The canonical SMILES for 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea is O=C(Nc1cc(Cl)ccc1Cl)N(Cc1ccccc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea?
The InChIKey is ARNIBQJZLCXYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O/c27-22-13-16-24(28)25(17-22)29-26(31)30(18-19-7-3-1-4-8-19)23-14-11-21(12-15-23)20-9-5-2-6-10-20/h1-10,13,16-17,21,23H,11-12,14-15,18H2,(H,29,31).
What are the key properties of 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea?
1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea has a molecular weight of 453.41 g/mol, XLogP of 7.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 19935194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).