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

C22H18BrN3O — CID 46380985

IUPAC1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)ccc1Br
InChIInChI=1S/C22H18BrN3O/c1-14-12-18(10-11-19(14)23)25-22(27)24-17-8-6-15(7-9-17)21-13-16-4-2-3-5-20(16)26-21/h2-13,26H,1H3,(H2,24,25,27)
InChIKeyVVFKRFZGZBXWLC-UHFFFAOYSA-N
MW420.31 g/mol
LogP6.55
Rot. Bonds3

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

1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea (PubChem CID 46380985) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
PubChem CID46380985
Molecular FormulaC22H18BrN3O
Molecular Weight420.31 g/mol
Exact Mass419.06
IUPAC Name1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)ccc1Br
InChIInChI=1S/C22H18BrN3O/c1-14-12-18(10-11-19(14)23)25-22(27)24-17-8-6-15(7-9-17)21-13-16-4-2-3-5-20(16)26-21/h2-13,26H,1H3,(H2,24,25,27)
InChIKeyVVFKRFZGZBXWLC-UHFFFAOYSA-N
XLogP6.55
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
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-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide
CID 46334471
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
CID 70903237
2-[(4-bromo-3-methylphenyl)carbamoylamino]benzoic acid
CID 63548637

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea (CID 46380985) is 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea is Cc1cc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
The InChIKey is VVFKRFZGZBXWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O/c1-14-12-18(10-11-19(14)23)25-22(27)24-17-8-6-15(7-9-17)21-13-16-4-2-3-5-20(16)26-21/h2-13,26H,1H3,(H2,24,25,27).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea has a molecular weight of 420.31 g/mol, XLogP of 6.55, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46380985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).