1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea

C21H20N2O2 — CID 111104314

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
SMILESO=C(NCc1ccc2ccccc2c1)NC1c2ccccc2CC1O
InChIInChI=1S/C21H20N2O2/c24-19-12-17-7-3-4-8-18(17)20(19)23-21(25)22-13-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,19-20,24H,12-13H2,(H2,22,23,25)
InChIKeyWODZVQJQTLPGKQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.30
Rot. Bonds3

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea (PubChem CID 111104314) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
PubChem CID111104314
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
SMILESO=C(NCc1ccc2ccccc2c1)NC1c2ccccc2CC1O
InChIInChI=1S/C21H20N2O2/c24-19-12-17-7-3-4-8-18(17)20(19)23-21(25)22-13-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,19-20,24H,12-13H2,(H2,22,23,25)
InChIKeyWODZVQJQTLPGKQ-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904230
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 110894801
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110911011
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
CID 111751216
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 136516477
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111509352
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111108844
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea (CID 111104314) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea is O=C(NCc1ccc2ccccc2c1)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea?
The InChIKey is WODZVQJQTLPGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-19-12-17-7-3-4-8-18(17)20(19)23-21(25)22-13-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,19-20,24H,12-13H2,(H2,22,23,25).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea has a molecular weight of 332.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea is sourced from PubChem (CID 111104314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).