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

C23H21N3O2 — CID 53114255

IUPAC1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1c(-c2ccc(C)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N3O2/c1-15-11-13-16(14-12-15)21-22(17-7-3-4-8-18(17)24-21)26-23(27)25-19-9-5-6-10-20(19)28-2/h3-14,24H,1-2H3,(H2,25,26,27)
InChIKeyCVOUOGIKNHPCRS-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.80
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea (PubChem CID 53114255) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
PubChem CID53114255
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1c(-c2ccc(C)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N3O2/c1-15-11-13-16(14-12-15)21-22(17-7-3-4-8-18(17)24-21)26-23(27)25-19-9-5-6-10-20(19)28-2/h3-14,24H,1-2H3,(H2,25,26,27)
InChIKeyCVOUOGIKNHPCRS-UHFFFAOYSA-N
XLogP5.80
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114266
1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
CID 53114241
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-amino-5-methylphenyl)-3-(2-methoxyphenyl)urea
CID 108866574
1-(2-methoxyphenyl)-3-(5-methylpyridin-1-ium-2-yl)urea
CID 5078167
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea
CID 155968206
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea (CID 53114255) is 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea is COc1ccccc1NC(=O)Nc1c(-c2ccc(C)cc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
The InChIKey is CVOUOGIKNHPCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-11-13-16(14-12-15)21-22(17-7-3-4-8-18(17)24-21)26-23(27)25-19-9-5-6-10-20(19)28-2/h3-14,24H,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea has a molecular weight of 371.44 g/mol, XLogP of 5.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea is sourced from PubChem (CID 53114255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).