1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea

C18H20N2O2 — CID 90499217

IUPAC1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-13-6-8-15(9-7-13)20-17(21)19-12-18(22)11-10-14-4-2-3-5-16(14)18/h2-9,22H,10-12H2,1H3,(H2,19,20,21)
InChIKeyDXJOBMIGKLYXJT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.95
Rot. Bonds3

About 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea

1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 90499217) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID90499217
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(O)CCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-13-6-8-15(9-7-13)20-17(21)19-12-18(22)11-10-14-4-2-3-5-16(14)18/h2-9,22H,10-12H2,1H3,(H2,19,20,21)
InChIKeyDXJOBMIGKLYXJT-UHFFFAOYSA-N
XLogP2.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3-(4-methylphenyl)urea
CID 90581348
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
1-(1,3-benzodioxol-5-yl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 71782217
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71782220
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
1-(2,3-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 75387625
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea
CID 75387842
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 126784919
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea (CID 90499217) is 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC2(O)CCc3ccccc32)cc1.
What is the InChIKey of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is DXJOBMIGKLYXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-8-15(9-7-13)20-17(21)19-12-18(22)11-10-14-4-2-3-5-16(14)18/h2-9,22H,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea?
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 296.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 90499217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).