1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea

C22H24ClN3O — CID 20951311

IUPAC1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
SMILESCc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2Cl)c(C)c1
InChIInChI=1S/C22H24ClN3O/c1-15-11-16(2)19(17(3)12-15)14-26-10-6-7-18(26)13-24-22(27)25-21-9-5-4-8-20(21)23/h4-12H,13-14H2,1-3H3,(H2,24,25,27)
InChIKeyVDYNAPWXTTWULL-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.44
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea

1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea (PubChem CID 20951311) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
PubChem CID20951311
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
SMILESCc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2Cl)c(C)c1
InChIInChI=1S/C22H24ClN3O/c1-15-11-16(2)19(17(3)12-15)14-26-10-6-7-18(26)13-24-22(27)25-21-9-5-4-8-20(21)23/h4-12H,13-14H2,1-3H3,(H2,24,25,27)
InChIKeyVDYNAPWXTTWULL-UHFFFAOYSA-N
XLogP5.44
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951319
1-(2-fluorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951349
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2-chlorophenyl)urea
CID 20950996
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea
CID 20951256
1-(2,5-dimethylphenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951469
1-(3-chlorophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951461
methyl 2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate
CID 20951247
1-(2,5-dimethylphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951130
1-(3-bromophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951485
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,5-dimethoxyphenyl)urea
CID 20951008
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea (CID 20951311) is 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea is Cc1cc(C)c(Cn2cccc2CNC(=O)Nc2ccccc2Cl)c(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea?
The InChIKey is VDYNAPWXTTWULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-15-11-16(2)19(17(3)12-15)14-26-10-6-7-18(26)13-24-22(27)25-21-9-5-4-8-20(21)23/h4-12H,13-14H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea?
1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea has a molecular weight of 381.91 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]urea is sourced from PubChem (CID 20951311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).