1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea

C21H18ClN7O — CID 56920689

IUPAC1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
SMILESCc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H18ClN7O/c1-14-24-19(12-20(25-14)29-11-10-23-13-29)26-15-6-8-16(9-7-15)27-21(30)28-18-5-3-2-4-17(18)22/h2-13H,1H3,(H,24,25,26)(H2,27,28,30)
InChIKeyFASLCTTXDJNEPW-UHFFFAOYSA-N
MW419.88 g/mol
LogP5.01
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea

1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea (PubChem CID 56920689) has the molecular formula C21H18ClN7O and a molecular weight of 419.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
PubChem CID56920689
Molecular FormulaC21H18ClN7O
Molecular Weight419.88 g/mol
Exact Mass419.13
IUPAC Name1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
SMILESCc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C21H18ClN7O/c1-14-24-19(12-20(25-14)29-11-10-23-13-29)26-15-6-8-16(9-7-15)27-21(30)28-18-5-3-2-4-17(18)22/h2-13H,1H3,(H,24,25,26)(H2,27,28,30)
InChIKeyFASLCTTXDJNEPW-UHFFFAOYSA-N
XLogP5.01
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.88
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]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

N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504
(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122291533
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 70702892
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
1-(2-chlorophenyl)-3-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309284
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291598
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-pyrimidin-2-yloxyacetamide
CID 121086772
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea (CID 56920689) is 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea is Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea?
The InChIKey is FASLCTTXDJNEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O/c1-14-24-19(12-20(25-14)29-11-10-23-13-29)26-15-6-8-16(9-7-15)27-21(30)28-18-5-3-2-4-17(18)22/h2-13H,1H3,(H,24,25,26)(H2,27,28,30).
What are the key properties of 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea?
1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea has a molecular weight of 419.88 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea is sourced from PubChem (CID 56920689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).