1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C18H20N2O2 — CID 51094079

IUPAC1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C18H20N2O2/c1-11-7-8-12(2)15(9-11)19-18(22)20-17-14-6-4-3-5-13(14)10-16(17)21/h3-9,16-17,21H,10H2,1-2H3,(H2,19,20,22)/t16-,17+/m0/s1
InChIKeyOOEZYDGNQAGXSX-DLBZAZTESA-N
MW296.37 g/mol
LogP3.08
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 51094079) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID51094079
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCc1ccc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C18H20N2O2/c1-11-7-8-12(2)15(9-11)19-18(22)20-17-14-6-4-3-5-13(14)10-16(17)21/h3-9,16-17,21H,10H2,1-2H3,(H2,19,20,22)/t16-,17+/m0/s1
InChIKeyOOEZYDGNQAGXSX-DLBZAZTESA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
3-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60591169
1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907994
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-(3-chloro-2-methyl-4-pyridinyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 91649382
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520843
N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]ethyl]-4-methylbenzamide
CID 136525095
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 51094079) is 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is Cc1ccc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is OOEZYDGNQAGXSX-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-7-8-12(2)15(9-11)19-18(22)20-17-14-6-4-3-5-13(14)10-16(17)21/h3-9,16-17,21H,10H2,1-2H3,(H2,19,20,22)/t16-,17+/m0/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 296.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 51094079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).