1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea

C35H34N6O2 — CID 101494121

IUPAC1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea
SMILESCCC(c1[nH]c2c(NC(=O)Nc3ccccc3)cccc2c1C)c1[nH]c2c(NC(=O)Nc3ccccc3)cccc2c1C
InChIInChI=1S/C35H34N6O2/c1-4-25(30-21(2)26-17-11-19-28(32(26)40-30)38-34(42)36-23-13-7-5-8-14-23)31-22(3)27-18-12-20-29(33(27)41-31)39-35(43)37-24-15-9-6-10-16-24/h5-20,25,40-41H,4H2,1-3H3,(H2,36,38,42)(H2,37,39,43)
InChIKeyXWXOBKOWXXGBLW-UHFFFAOYSA-N
MW570.70 g/mol
LogP9.10
Rot. Bonds7

About 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea

1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea (PubChem CID 101494121) has the molecular formula C35H34N6O2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea
PubChem CID101494121
Molecular FormulaC35H34N6O2
Molecular Weight570.70 g/mol
Exact Mass570.27
IUPAC Name1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea
SMILESCCC(c1[nH]c2c(NC(=O)Nc3ccccc3)cccc2c1C)c1[nH]c2c(NC(=O)Nc3ccccc3)cccc2c1C
InChIInChI=1S/C35H34N6O2/c1-4-25(30-21(2)26-17-11-19-28(32(26)40-30)38-34(42)36-23-13-7-5-8-14-23)31-22(3)27-18-12-20-29(33(27)41-31)39-35(43)37-24-15-9-6-10-16-24/h5-20,25,40-41H,4H2,1-3H3,(H2,36,38,42)(H2,37,39,43)
InChIKeyXWXOBKOWXXGBLW-UHFFFAOYSA-N
XLogP9.10
TPSA113.84 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 59.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Analyze 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-diphenylphosphanyl-N-[2-[1-[7-[(3-diphenylphosphanylbenzoyl)amino]-3-methyl-1H-indol-2-yl]propyl]-3-methyl-1H-indol-7-yl]benzamide
CID 102359066
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
CID 83859664
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
1-[9-oxo-5-[[(1S)-1-phenylethyl]carbamoylamino]-10H-acridin-4-yl]-3-[(1S)-1-phenylethyl]urea
CID 132598320
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
CID 551560

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea?
The IUPAC name of 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea (CID 101494121) is 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea?
The canonical SMILES for 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea is CCC(c1[nH]c2c(NC(=O)Nc3ccccc3)cccc2c1C)c1[nH]c2c(NC(=O)Nc3ccccc3)cccc2c1C.
What is the InChIKey of 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea?
The InChIKey is XWXOBKOWXXGBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O2/c1-4-25(30-21(2)26-17-11-19-28(32(26)40-30)38-34(42)36-23-13-7-5-8-14-23)31-22(3)27-18-12-20-29(33(27)41-31)39-35(43)37-24-15-9-6-10-16-24/h5-20,25,40-41H,4H2,1-3H3,(H2,36,38,42)(H2,37,39,43).
What are the key properties of 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea?
1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea has a molecular weight of 570.70 g/mol, XLogP of 9.10, 7 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea is sourced from PubChem (CID 101494121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).