1-(1H-indol-5-yl)-3-(2-phenylethyl)urea

C17H17N3O — CID 155412352

IUPAC1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N3O/c21-17(19-10-8-13-4-2-1-3-5-13)20-15-6-7-16-14(12-15)9-11-18-16/h1-7,9,11-12,18H,8,10H2,(H2,19,20,21)
InChIKeyUDOLAMVGJGOEQQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.53
Rot. Bonds4

About 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea

1-(1H-indol-5-yl)-3-(2-phenylethyl)urea (PubChem CID 155412352) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
PubChem CID155412352
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N3O/c21-17(19-10-8-13-4-2-1-3-5-13)20-15-6-7-16-14(12-15)9-11-18-16/h1-7,9,11-12,18H,8,10H2,(H2,19,20,21)
InChIKeyUDOLAMVGJGOEQQ-UHFFFAOYSA-N
XLogP3.53
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
1-(1H-indol-5-ylmethyl)-3-(3-phenylpropyl)urea
CID 118398454
1-(1H-indol-5-ylmethyl)-3-(2-phenylethyl)thiourea
CID 59088051
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea
CID 155412366
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea (CID 155412352) is 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea?
The InChIKey is UDOLAMVGJGOEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(19-10-8-13-4-2-1-3-5-13)20-15-6-7-16-14(12-15)9-11-18-16/h1-7,9,11-12,18H,8,10H2,(H2,19,20,21).
What are the key properties of 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea?
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea has a molecular weight of 279.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 155412352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).