1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea

C20H20N2O3 — CID 138018771

IUPAC1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
SMILESC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O3/c1-12(18-11-14-7-3-5-9-17(14)25-18)21-20(24)22-16-10-13-6-2-4-8-15(13)19(16)23/h2-9,11-12,16,19,23H,10H2,1H3,(H2,21,22,24)/t12-,16-,19-/m1/s1
InChIKeyZYMRAFJNSHLIOS-SMNXXWJPSA-N
MW336.39 g/mol
LogP3.45
Rot. Bonds3

About 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea (PubChem CID 138018771) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
PubChem CID138018771
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea
SMILESC[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O3/c1-12(18-11-14-7-3-5-9-17(14)25-18)21-20(24)22-16-10-13-6-2-4-8-15(13)19(16)23/h2-9,11-12,16,19,23H,10H2,1H3,(H2,21,22,24)/t12-,16-,19-/m1/s1
InChIKeyZYMRAFJNSHLIOS-SMNXXWJPSA-N
XLogP3.45
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea with MolForge

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Related Compounds

4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
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N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
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CID 41437717
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
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CID 9366960
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tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
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1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
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CID 119272375
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
The IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea (CID 138018771) is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea is C[C@@H](NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2ccccc2o1.
What is the InChIKey of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
The InChIKey is ZYMRAFJNSHLIOS-SMNXXWJPSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12(18-11-14-7-3-5-9-17(14)25-18)21-20(24)22-16-10-13-6-2-4-8-15(13)19(16)23/h2-9,11-12,16,19,23H,10H2,1H3,(H2,21,22,24)/t12-,16-,19-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea?
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea has a molecular weight of 336.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]urea is sourced from PubChem (CID 138018771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).