1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea

C23H21N3O — CID 46384315

IUPAC1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C23H21N3O/c1-15-11-12-16(2)21(13-15)26-23(27)25-20-10-6-4-8-18(20)22-14-17-7-3-5-9-19(17)24-22/h3-14,24H,1-2H3,(H2,25,26,27)
InChIKeyAJKXHLCITLDSNU-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.10
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea

1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea (PubChem CID 46384315) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
PubChem CID46384315
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C23H21N3O/c1-15-11-12-16(2)21(13-15)26-23(27)25-20-10-6-4-8-18(20)22-14-17-7-3-5-9-19(17)24-22/h3-14,24H,1-2H3,(H2,25,26,27)
InChIKeyAJKXHLCITLDSNU-UHFFFAOYSA-N
XLogP6.10
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
CID 70903237
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
CID 20972909
N-[2-(5-methyl-1H-indol-2-yl)phenyl]acetamide
CID 134835281
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195
methyl 3-[[2-(1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46384340
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
CID 91534823
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea (CID 46384315) is 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea is Cc1ccc(C)c(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
The InChIKey is AJKXHLCITLDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-11-12-16(2)21(13-15)26-23(27)25-20-10-6-4-8-18(20)22-14-17-7-3-5-9-19(17)24-22/h3-14,24H,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea has a molecular weight of 355.44 g/mol, XLogP of 6.10, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46384315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).