1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea

C22H19N3O — CID 46380970

IUPAC1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C22H19N3O/c1-15-5-4-7-19(13-15)24-22(26)23-18-11-9-16(10-12-18)21-14-17-6-2-3-8-20(17)25-21/h2-14,25H,1H3,(H2,23,24,26)
InChIKeyYRHQDAWAPJMZPC-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.79
Rot. Bonds3

About 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 46380970) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID46380970
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C22H19N3O/c1-15-5-4-7-19(13-15)24-22(26)23-18-11-9-16(10-12-18)21-14-17-6-2-3-8-20(17)25-21/h2-14,25H,1H3,(H2,23,24,26)
InChIKeyYRHQDAWAPJMZPC-UHFFFAOYSA-N
XLogP5.79
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380985
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
CID 70903237
N-[4-(6-methyl-1H-indol-2-yl)phenyl]acetamide
CID 91585636
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea (CID 46380970) is 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is YRHQDAWAPJMZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-5-4-7-19(13-15)24-22(26)23-18-11-9-16(10-12-18)21-14-17-6-2-3-8-20(17)25-21/h2-14,25H,1H3,(H2,23,24,26).
What are the key properties of 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 341.41 g/mol, XLogP of 5.79, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 46380970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).