1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea

C23H23N3O2 — CID 154841114

IUPAC1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea
SMILESO=C(NCCc1ccc2[nH]ccc2c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H23N3O2/c27-23(25-12-10-18-8-9-22-20(15-18)11-13-24-22)26(17-21-7-4-14-28-21)16-19-5-2-1-3-6-19/h1-9,11,13-15,24H,10,12,16-17H2,(H,25,27)
InChIKeyXOWXOBZCOLQYRM-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.72
Rot. Bonds7

About 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea

1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea (PubChem CID 154841114) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea
PubChem CID154841114
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea
SMILESO=C(NCCc1ccc2[nH]ccc2c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H23N3O2/c27-23(25-12-10-18-8-9-22-20(15-18)11-13-24-22)26(17-21-7-4-14-28-21)16-19-5-2-1-3-6-19/h1-9,11,13-15,24H,10,12,16-17H2,(H,25,27)
InChIKeyXOWXOBZCOLQYRM-UHFFFAOYSA-N
XLogP4.72
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 86882986
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718181
1-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 52906824
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
CID 42778117
1-(1H-indol-5-ylmethyl)-3-(2-phenylethyl)thiourea
CID 59088051
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea?
The IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea (CID 154841114) is 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea is O=C(NCCc1ccc2[nH]ccc2c1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea?
The InChIKey is XOWXOBZCOLQYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(25-12-10-18-8-9-22-20(15-18)11-13-24-22)26(17-21-7-4-14-28-21)16-19-5-2-1-3-6-19/h1-9,11,13-15,24H,10,12,16-17H2,(H,25,27).
What are the key properties of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea?
1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea has a molecular weight of 373.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea is sourced from PubChem (CID 154841114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).