1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea

C18H19N3O — CID 20972909

IUPAC1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c1-12(2)19-18(22)21-16-10-6-4-8-14(16)17-11-13-7-3-5-9-15(13)20-17/h3-12,20H,1-2H3,(H2,19,21,22)
InChIKeyVGIQNMSZWQEVKE-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.36
Rot. Bonds3

About 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea

1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea (PubChem CID 20972909) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
PubChem CID20972909
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c1-12(2)19-18(22)21-16-10-6-4-8-14(16)17-11-13-7-3-5-9-15(13)20-17/h3-12,20H,1-2H3,(H2,19,21,22)
InChIKeyVGIQNMSZWQEVKE-UHFFFAOYSA-N
XLogP4.36
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384315
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
methyl 3-[[2-(1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46384340
2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
CID 91534823
N-[2-(5-methyl-1H-indol-2-yl)phenyl]acetamide
CID 134835281
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
CID 3687205
1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
CID 70903237
N-[2-(5-methoxy-1H-indol-2-yl)phenyl]acetamide
CID 10731437
6-bromo-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 60555509
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea (CID 20972909) is 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea?
The InChIKey is VGIQNMSZWQEVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)19-18(22)21-16-10-6-4-8-14(16)17-11-13-7-3-5-9-15(13)20-17/h3-12,20H,1-2H3,(H2,19,21,22).
What are the key properties of 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea?
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea has a molecular weight of 293.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 20972909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).