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

C21H20N2O — CID 57264395

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NC1CCc2ccccc21
InChIInChI=1S/C21H20N2O/c24-21(23-20-13-12-16-7-2-4-11-19(16)20)22-14-17-9-5-8-15-6-1-3-10-18(15)17/h1-11,20H,12-14H2,(H2,22,23,24)
InChIKeyRNNSJWNCZHOMRS-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.33
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 57264395) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID57264395
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NC1CCc2ccccc21
InChIInChI=1S/C21H20N2O/c24-21(23-20-13-12-16-7-2-4-11-19(16)20)22-14-17-9-5-8-15-6-1-3-10-18(15)17/h1-11,20H,12-14H2,(H2,22,23,24)
InChIKeyRNNSJWNCZHOMRS-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]urea
CID 10133042
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457998
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
CID 51117969
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94017963
1-(2,3-dihydro-1H-inden-1-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47163887
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 55472850

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea (CID 57264395) is 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea is O=C(NCc1cccc2ccccc12)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is RNNSJWNCZHOMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(23-20-13-12-16-7-2-4-11-19(16)20)22-14-17-9-5-8-15-6-1-3-10-18(15)17/h1-11,20H,12-14H2,(H2,22,23,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 316.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 57264395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).