1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea

C18H19N3O — CID 3236611

IUPAC1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea
SMILESCc1cc2cc(CNC(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C18H19N3O/c1-13-10-15-11-14(8-9-17(15)21(13)2)12-19-18(22)20-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,19,20,22)
InChIKeyPYWSAZSJJTYYLH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.81
Rot. Bonds3

About 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea

1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea (PubChem CID 3236611) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea
PubChem CID3236611
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea
SMILESCc1cc2cc(CNC(=O)Nc3ccccc3)ccc2n1C
InChIInChI=1S/C18H19N3O/c1-13-10-15-11-14(8-9-17(15)21(13)2)12-19-18(22)20-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,19,20,22)
InChIKeyPYWSAZSJJTYYLH-UHFFFAOYSA-N
XLogP3.81
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea (CID 3236611) is 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea is Cc1cc2cc(CNC(=O)Nc3ccccc3)ccc2n1C.
What is the InChIKey of 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea?
The InChIKey is PYWSAZSJJTYYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-10-15-11-14(8-9-17(15)21(13)2)12-19-18(22)20-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea?
1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea has a molecular weight of 293.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylindol-5-yl)methyl]-3-phenylurea is sourced from PubChem (CID 3236611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).