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

C16H15N3O — CID 7615984

IUPAC1-benzyl-3-(1H-indol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c20-16(18-10-12-6-2-1-3-7-12)19-15-11-17-14-9-5-4-8-13(14)15/h1-9,11,17H,10H2,(H2,18,19,20)
InChIKeyZCULXOUYTYFKQL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.49
Rot. Bonds3

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

1-benzyl-3-(1H-indol-3-yl)urea (PubChem CID 7615984) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-benzyl-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1H-indol-3-yl)urea
PubChem CID7615984
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-benzyl-3-(1H-indol-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H15N3O/c20-16(18-10-12-6-2-1-3-7-12)19-15-11-17-14-9-5-4-8-13(14)15/h1-9,11,17H,10H2,(H2,18,19,20)
InChIKeyZCULXOUYTYFKQL-UHFFFAOYSA-N
XLogP3.49
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
1H-indol-3-ylcarbamic acid
CID 66672709
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
1-(1H-indol-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 7615967
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
CID 7615872
1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
1-(2-aminophenyl)-3-benzylurea
CID 86135193
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-benzyl-3-(1H-indol-3-yl)urea (CID 7615984) is 1-benzyl-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(1H-indol-3-yl)urea is O=C(NCc1ccccc1)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-benzyl-3-(1H-indol-3-yl)urea?
The InChIKey is ZCULXOUYTYFKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(18-10-12-6-2-1-3-7-12)19-15-11-17-14-9-5-4-8-13(14)15/h1-9,11,17H,10H2,(H2,18,19,20).
What are the key properties of 1-benzyl-3-(1H-indol-3-yl)urea?
1-benzyl-3-(1H-indol-3-yl)urea has a molecular weight of 265.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7615984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).