1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea

C16H13N3O3 — CID 7616079

IUPAC1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c20-16(18-10-5-6-14-15(7-10)22-9-21-14)19-13-8-17-12-4-2-1-3-11(12)13/h1-8,17H,9H2,(H2,18,19,20)
InChIKeyLCLQDSUQNGDYIO-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.54
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea

1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea (PubChem CID 7616079) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
PubChem CID7616079
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c20-16(18-10-5-6-14-15(7-10)22-9-21-14)19-13-8-17-12-4-2-1-3-11(12)13/h1-8,17H,9H2,(H2,18,19,20)
InChIKeyLCLQDSUQNGDYIO-UHFFFAOYSA-N
XLogP3.54
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(1H-indole-3-carbonylamino)urea
CID 17270202
1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea
CID 17375783
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703
1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea
CID 17298589
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665017
1-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-3-(1H-indol-3-yl)urea
CID 156574323
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
N-[1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-(1H-indole-3-carbonyl)piperazine-1-carboxamide
CID 73258652
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2484748
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea (CID 7616079) is 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea is O=C(Nc1ccc2c(c1)OCO2)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea?
The InChIKey is LCLQDSUQNGDYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(18-10-5-6-14-15(7-10)22-9-21-14)19-13-8-17-12-4-2-1-3-11(12)13/h1-8,17H,9H2,(H2,18,19,20).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea?
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea has a molecular weight of 295.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7616079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).