1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea

C22H25ClN4O — CID 23368287

IUPAC1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C22H25ClN4O/c1-26(22(28)27(2)15-19-7-10-20(23)11-8-19)14-18-5-3-17(4-6-18)9-12-21-13-24-16-25-21/h3-8,10-11,13,16H,9,12,14-15H2,1-2H3,(H,24,25)
InChIKeyHVBOBTNVLWFHDB-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.53
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea

1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea (PubChem CID 23368287) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea
PubChem CID23368287
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C22H25ClN4O/c1-26(22(28)27(2)15-19-7-10-20(23)11-8-19)14-18-5-3-17(4-6-18)9-12-21-13-24-16-25-21/h3-8,10-11,13,16H,9,12,14-15H2,1-2H3,(H,24,25)
InChIKeyHVBOBTNVLWFHDB-UHFFFAOYSA-N
XLogP4.53
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea (CID 23368287) is 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea is CN(Cc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(CCc2cnc[nH]2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea?
The InChIKey is HVBOBTNVLWFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-26(22(28)27(2)15-19-7-10-20(23)11-8-19)14-18-5-3-17(4-6-18)9-12-21-13-24-16-25-21/h3-8,10-11,13,16H,9,12,14-15H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea?
1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea has a molecular weight of 396.92 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea is sourced from PubChem (CID 23368287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).