1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea

C24H23N3O3 — CID 53114266

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(-c3ccc(C)cc3)[nH]c3ccccc23)c1
InChIInChI=1S/C24H23N3O3/c1-15-8-10-16(11-9-15)22-23(18-6-4-5-7-19(18)25-22)27-24(28)26-20-14-17(29-2)12-13-21(20)30-3/h4-14,25H,1-3H3,(H2,26,27,28)
InChIKeyKIGAJGFGVFUSOP-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.80
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea

1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea (PubChem CID 53114266) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
PubChem CID53114266
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2c(-c3ccc(C)cc3)[nH]c3ccccc23)c1
InChIInChI=1S/C24H23N3O3/c1-15-8-10-16(11-9-15)22-23(18-6-4-5-7-19(18)25-22)27-24(28)26-20-14-17(29-2)12-13-21(20)30-3/h4-14,25H,1-3H3,(H2,26,27,28)
InChIKeyKIGAJGFGVFUSOP-UHFFFAOYSA-N
XLogP5.80
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114255
1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386711
1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
CID 53114241
1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea
CID 46386755
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
ethyl 3-[(2,5-dimethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate
CID 2157265
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
CID 54723744
ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate
CID 53114196
N-(2,5-dimethoxyphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855954
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea (CID 53114266) is 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea is COc1ccc(OC)c(NC(=O)Nc2c(-c3ccc(C)cc3)[nH]c3ccccc23)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
The InChIKey is KIGAJGFGVFUSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-8-10-16(11-9-15)22-23(18-6-4-5-7-19(18)25-22)27-24(28)26-20-14-17(29-2)12-13-21(20)30-3/h4-14,25H,1-3H3,(H2,26,27,28).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea?
1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea has a molecular weight of 401.47 g/mol, XLogP of 5.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea is sourced from PubChem (CID 53114266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).