1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea

C23H27N3O — CID 20951294

IUPAC1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea
SMILESCc1ccc(C)c(Cn2cccc2CNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H27N3O/c1-18-10-11-19(2)21(15-18)17-26-14-6-9-22(26)16-25-23(27)24-13-12-20-7-4-3-5-8-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H2,24,25,27)
InChIKeyJBKOYVVLHYCWPX-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.20
Rot. Bonds7

About 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea

1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea (PubChem CID 20951294) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea
PubChem CID20951294
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea
SMILESCc1ccc(C)c(Cn2cccc2CNC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H27N3O/c1-18-10-11-19(2)21(15-18)17-26-14-6-9-22(26)16-25-23(27)24-13-12-20-7-4-3-5-8-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H2,24,25,27)
InChIKeyJBKOYVVLHYCWPX-UHFFFAOYSA-N
XLogP4.20
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea 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

1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea
CID 20951256
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
1-(2,5-dimethylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951469
methyl 2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate
CID 20951247
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methoxyphenyl)urea
CID 20951259
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951475
1-(2,5-dimethylphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951130
2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]ethanone
CID 79106592
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
1-(3-bromophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951485

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea (CID 20951294) is 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea is Cc1ccc(C)c(Cn2cccc2CNC(=O)NCCc2ccccc2)c1.
What is the InChIKey of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea?
The InChIKey is JBKOYVVLHYCWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-10-11-19(2)21(15-18)17-26-14-6-9-22(26)16-25-23(27)24-13-12-20-7-4-3-5-8-20/h3-11,14-15H,12-13,16-17H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea?
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea has a molecular weight of 361.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 20951294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).