1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea

C19H22N2O2 — CID 111790468

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-14-6-2-5-9-17(14)20-19(23)21(12-13-22)18-11-10-15-7-3-4-8-16(15)18/h2-9,18,22H,10-13H2,1H3,(H,20,23)
InChIKeyBDHHIUDRXNLWNT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.51
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea

1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea (PubChem CID 111790468) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
PubChem CID111790468
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)N(CCO)C1CCc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-14-6-2-5-9-17(14)20-19(23)21(12-13-22)18-11-10-15-7-3-4-8-16(15)18/h2-9,18,22H,10-13H2,1H3,(H,20,23)
InChIKeyBDHHIUDRXNLWNT-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790491
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790504
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
CID 52528168
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
CID 111347466
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
CID 51128665
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(3-nitrophenyl)urea
CID 71931096
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
CID 95769864
1-(2-hydroxyethyl)-3-[(3-methyl-2-pyridinyl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97073045

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea (CID 111790468) is 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)N(CCO)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea?
The InChIKey is BDHHIUDRXNLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-6-2-5-9-17(14)20-19(23)21(12-13-22)18-11-10-15-7-3-4-8-16(15)18/h2-9,18,22H,10-13H2,1H3,(H,20,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea?
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 111790468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).