1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea

C17H17N3O — CID 7616071

IUPAC1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C17H17N3O/c1-11-7-8-14(12(2)9-11)19-17(21)20-16-10-18-15-6-4-3-5-13(15)16/h3-10,18H,1-2H3,(H2,19,20,21)
InChIKeyZWYZSIYPEDJCIR-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.43
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea

1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea (PubChem CID 7616071) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
PubChem CID7616071
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C17H17N3O/c1-11-7-8-14(12(2)9-11)19-17(21)20-16-10-18-15-6-4-3-5-13(15)16/h3-10,18H,1-2H3,(H2,19,20,21)
InChIKeyZWYZSIYPEDJCIR-UHFFFAOYSA-N
XLogP4.43
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline
CID 144941300
1H-indol-3-ylcarbamic acid
CID 66672709
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886354
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
CID 18582270
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
2-[bis(2-phenylacetyl)amino]-N-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 21156433
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8733084

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea (CID 7616071) is 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea is Cc1ccc(NC(=O)Nc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea?
The InChIKey is ZWYZSIYPEDJCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-7-8-14(12(2)9-11)19-17(21)20-16-10-18-15-6-4-3-5-13(15)16/h3-10,18H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea?
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea has a molecular weight of 279.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7616071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).