1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea

C24H25N3O — CID 46389876

IUPAC1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)c1
InChIInChI=1S/C24H25N3O/c1-17-8-9-18(2)23(12-17)26-24(28)25-22-11-10-20-15-27(16-21(20)13-22)14-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3,(H2,25,26,28)
InChIKeyLFLPOMSHYOTASG-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.46
Rot. Bonds4

About 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea

1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea (PubChem CID 46389876) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea
PubChem CID46389876
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)c1
InChIInChI=1S/C24H25N3O/c1-17-8-9-18(2)23(12-17)26-24(28)25-22-11-10-20-15-27(16-21(20)13-22)14-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3,(H2,25,26,28)
InChIKeyLFLPOMSHYOTASG-UHFFFAOYSA-N
XLogP5.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea
CID 46389874
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-bromophenyl)urea
CID 46389889
1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea
CID 46259435
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46981546
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 46980658
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
CID 168652594
2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4795826
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea (CID 46389876) is 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)c1.
What is the InChIKey of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea?
The InChIKey is LFLPOMSHYOTASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-8-9-18(2)23(12-17)26-24(28)25-22-11-10-20-15-27(16-21(20)13-22)14-19-6-4-3-5-7-19/h3-13H,14-16H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea?
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea has a molecular weight of 371.48 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 46389876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).