1-benzhydryl-3-(2,4-dimethoxyphenyl)urea

C22H22N2O3 — CID 24819711

IUPAC1-benzhydryl-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H22N2O3/c1-26-18-13-14-19(20(15-18)27-2)23-22(25)24-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H2,23,24,25)
InChIKeyHJJHWGZBWJSHNG-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.61
Rot. Bonds6

About 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea

1-benzhydryl-3-(2,4-dimethoxyphenyl)urea (PubChem CID 24819711) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2,4-dimethoxyphenyl)urea
PubChem CID24819711
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-benzhydryl-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H22N2O3/c1-26-18-13-14-19(20(15-18)27-2)23-22(25)24-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H2,23,24,25)
InChIKeyHJJHWGZBWJSHNG-UHFFFAOYSA-N
XLogP4.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea (CID 24819711) is 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is HJJHWGZBWJSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-18-13-14-19(20(15-18)27-2)23-22(25)24-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H2,23,24,25).
What are the key properties of 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea?
1-benzhydryl-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 362.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 24819711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).