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

C22H25N3O — CID 20951256

IUPAC1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea
SMILESCc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C22H25N3O/c1-16-10-11-17(2)19(13-16)15-25-12-6-8-20(25)14-23-22(26)24-21-9-5-4-7-18(21)3/h4-13H,14-15H2,1-3H3,(H2,23,24,26)
InChIKeyOIMPIBKVZGLHGF-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.78
Rot. Bonds5

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

1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea (PubChem CID 20951256) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea
PubChem CID20951256
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea
SMILESCc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C22H25N3O/c1-16-10-11-17(2)19(13-16)15-25-12-6-8-20(25)14-23-22(26)24-21-9-5-4-7-18(21)3/h4-13H,14-15H2,1-3H3,(H2,23,24,26)
InChIKeyOIMPIBKVZGLHGF-UHFFFAOYSA-N
XLogP4.78
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951475
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea
CID 20951294
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methoxyphenyl)urea
CID 20951259
1-(2,5-dimethylphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951130
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
1-(3-bromophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951485
1-(3-chlorophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951461
1-(2-fluorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951349
1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951311
1-(2-chloro-4-methylphenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951319

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea (CID 20951256) is 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea is Cc1ccc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2C)c1.
What is the InChIKey of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea?
The InChIKey is OIMPIBKVZGLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-10-11-17(2)19(13-16)15-25-12-6-8-20(25)14-23-22(26)24-21-9-5-4-7-18(21)3/h4-13H,14-15H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea?
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea has a molecular weight of 347.46 g/mol, XLogP of 4.78, 5 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-methylphenyl)urea is sourced from PubChem (CID 20951256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).