1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea

C19H19N5O2 — CID 126784299

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)Nc1cccc(-n2ccnn2)c1
InChIInChI=1S/C19H19N5O2/c25-19(20-8-6-14-4-5-18-15(12-14)7-11-26-18)22-16-2-1-3-17(13-16)24-10-9-21-23-24/h1-5,9-10,12-13H,6-8,11H2,(H2,20,22,25)
InChIKeyIQEZUZREVRMDEC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.57
Rot. Bonds5

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea (PubChem CID 126784299) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea
PubChem CID126784299
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)Nc1cccc(-n2ccnn2)c1
InChIInChI=1S/C19H19N5O2/c25-19(20-8-6-14-4-5-18-15(12-14)7-11-26-18)22-16-2-1-3-17(13-16)24-10-9-21-23-24/h1-5,9-10,12-13H,6-8,11H2,(H2,20,22,25)
InChIKeyIQEZUZREVRMDEC-UHFFFAOYSA-N
XLogP2.57
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
1-(3-bromophenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 113217528
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
CID 86952368
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyrazol-1-ylphenyl)urea
CID 51116793
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110792403
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 86952245
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea
CID 119043715

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea (CID 126784299) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea is O=C(NCCc1ccc2c(c1)CCO2)Nc1cccc(-n2ccnn2)c1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea?
The InChIKey is IQEZUZREVRMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(20-8-6-14-4-5-18-15(12-14)7-11-26-18)22-16-2-1-3-17(13-16)24-10-9-21-23-24/h1-5,9-10,12-13H,6-8,11H2,(H2,20,22,25).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea has a molecular weight of 349.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(triazol-1-yl)phenyl]urea is sourced from PubChem (CID 126784299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).