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

C20H22N2O2 — CID 110904230

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NCc1ccc2c(c1)CCC2)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C20H22N2O2/c23-18-11-16-4-1-2-7-17(16)19(18)22-20(24)21-12-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10,18-19,23H,3,5-6,11-12H2,(H2,21,22,24)/t18-,19+/m0/s1
InChIKeyOLTDEYXKFVLFJQ-RBUKOAKNSA-N
MW322.41 g/mol
LogP2.63
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110904230) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110904230
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(NCc1ccc2c(c1)CCC2)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C20H22N2O2/c23-18-11-16-4-1-2-7-17(16)19(18)22-20(24)21-12-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10,18-19,23H,3,5-6,11-12H2,(H2,21,22,24)/t18-,19+/m0/s1
InChIKeyOLTDEYXKFVLFJQ-RBUKOAKNSA-N
XLogP2.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
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1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110904230) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is O=C(NCc1ccc2c(c1)CCC2)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is OLTDEYXKFVLFJQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-18-11-16-4-1-2-7-17(16)19(18)22-20(24)21-12-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10,18-19,23H,3,5-6,11-12H2,(H2,21,22,24)/t18-,19+/m0/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 322.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110904230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).