1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea

C18H19N3O2 — CID 7615873

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1c[nH]c2ccccc12)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-11-10-21(13-14-6-2-1-3-7-14)18(23)20-17-12-19-16-9-5-4-8-15(16)17/h1-9,12,19,22H,10-11,13H2,(H,20,23)
InChIKeyCOCKMFIMDNTEDB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.19
Rot. Bonds5

About 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea

1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea (PubChem CID 7615873) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
PubChem CID7615873
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1c[nH]c2ccccc12)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-11-10-21(13-14-6-2-1-3-7-14)18(23)20-17-12-19-16-9-5-4-8-15(16)17/h1-9,12,19,22H,10-11,13H2,(H,20,23)
InChIKeyCOCKMFIMDNTEDB-UHFFFAOYSA-N
XLogP3.19
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615867
1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
CID 7615872
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1H-indol-3-ylcarbamic acid
CID 66672709
1-benzyl-1-(2-hydroxyethyl)-3-(2-propylphenyl)urea
CID 110896766
1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
CID 111117127
1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
CID 111521290
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814077
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea (CID 7615873) is 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea is O=C(Nc1c[nH]c2ccccc12)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
The InChIKey is COCKMFIMDNTEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-11-10-21(13-14-6-2-1-3-7-14)18(23)20-17-12-19-16-9-5-4-8-15(16)17/h1-9,12,19,22H,10-11,13H2,(H,20,23).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea has a molecular weight of 309.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7615873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).