1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea

C17H17N3O2 — CID 56801338

IUPAC1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea
SMILESCN(Cc1ccccc1O)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N3O2/c1-20(11-13-4-2-3-5-16(13)21)17(22)19-14-6-7-15-12(10-14)8-9-18-15/h2-10,18,21H,11H2,1H3,(H,19,22)
InChIKeyYEKKJYOXOBWSCJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.54
Rot. Bonds3

About 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea

1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea (PubChem CID 56801338) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea
PubChem CID56801338
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea
SMILESCN(Cc1ccccc1O)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N3O2/c1-20(11-13-4-2-3-5-16(13)21)17(22)19-14-6-7-15-12(10-14)8-9-18-15/h2-10,18,21H,11H2,1H3,(H,19,22)
InChIKeyYEKKJYOXOBWSCJ-UHFFFAOYSA-N
XLogP3.54
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
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CID 110473206
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CID 155412366
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
2-amino-N-(1H-indol-5-yl)hexanamide
CID 61248761
3-(dimethylamino)-N-(1H-indol-5-yl)benzamide
CID 110744980
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea (CID 56801338) is 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea is CN(Cc1ccccc1O)C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea?
The InChIKey is YEKKJYOXOBWSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(11-13-4-2-3-5-16(13)21)17(22)19-14-6-7-15-12(10-14)8-9-18-15/h2-10,18,21H,11H2,1H3,(H,19,22).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea?
1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea has a molecular weight of 295.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-3-(1H-indol-5-yl)-1-methylurea is sourced from PubChem (CID 56801338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).