1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

C21H23N3O — CID 20951475

IUPAC1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccn2Cc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O/c1-16-9-11-19(12-10-16)23-21(25)22-14-20-8-5-13-24(20)15-18-7-4-3-6-17(18)2/h3-13H,14-15H2,1-2H3,(H2,22,23,25)
InChIKeyBHWNSOPGNDRNIA-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.47
Rot. Bonds5

About 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea

1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea (PubChem CID 20951475) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
PubChem CID20951475
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccn2Cc2ccccc2C)cc1
InChIInChI=1S/C21H23N3O/c1-16-9-11-19(12-10-16)23-21(25)22-14-20-8-5-13-24(20)15-18-7-4-3-6-17(18)2/h3-13H,14-15H2,1-2H3,(H2,22,23,25)
InChIKeyBHWNSOPGNDRNIA-UHFFFAOYSA-N
XLogP4.47
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]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-(2,5-dimethylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951469
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-[[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-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methoxyphenyl)urea
CID 20951259
methyl 2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate
CID 20951247
1-benzyl-3-(4-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4612905
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-phenylethyl)urea
CID 20951294
N-[4-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylsulfamoyl]phenyl]propanamide
CID 20963940
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
CID 52947935

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea (CID 20951475) is 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea is Cc1ccc(NC(=O)NCc2cccn2Cc2ccccc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea?
The InChIKey is BHWNSOPGNDRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-9-11-19(12-10-16)23-21(25)22-14-20-8-5-13-24(20)15-18-7-4-3-6-17(18)2/h3-13H,14-15H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea?
1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea has a molecular weight of 333.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea is sourced from PubChem (CID 20951475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).