1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea

C19H19ClN4S — CID 100640146

IUPAC1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
SMILESCc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1Cl
InChIInChI=1S/C19H19ClN4S/c1-13-3-6-16(11-18(13)20)23-19(25)22-12-15-4-7-17(8-5-15)24-10-9-21-14(24)2/h3-11H,12H2,1-2H3,(H2,22,23,25)
InChIKeyUNGUVVSILBLFRV-UHFFFAOYSA-N
MW370.91 g/mol
LogP4.63
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea

1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea (PubChem CID 100640146) has the molecular formula C19H19ClN4S and a molecular weight of 370.91 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
PubChem CID100640146
Molecular FormulaC19H19ClN4S
Molecular Weight370.91 g/mol
Exact Mass370.10
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
SMILESCc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1Cl
InChIInChI=1S/C19H19ClN4S/c1-13-3-6-16(11-18(13)20)23-19(25)22-12-15-4-7-17(8-5-15)24-10-9-21-14(24)2/h3-11H,12H2,1-2H3,(H2,22,23,25)
InChIKeyUNGUVVSILBLFRV-UHFFFAOYSA-N
XLogP4.63
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea
CID 100639847
1-(3-chloro-4-methylphenyl)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]thiourea
CID 100749129
1-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100640908
1-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 100640381
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
1-(3-chloro-4-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]thiourea
CID 19649646
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
1-(3-chloro-4-methylphenyl)-3-[3-(4-chlorophenyl)propyl]thiourea
CID 100672727
1-(3-chloro-4-methylphenyl)-3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]thiourea
CID 100668268
1-(4-bromo-3-chlorophenyl)-3-(pyridin-4-ylmethyl)thiourea
CID 100596259
1-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea
CID 17283784
1-(3-chloro-4-methylphenyl)-3-[(3-propan-2-yloxyphenyl)methyl]thiourea
CID 100665632

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea (CID 100640146) is 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea is Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea?
The InChIKey is UNGUVVSILBLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4S/c1-13-3-6-16(11-18(13)20)23-19(25)22-12-15-4-7-17(8-5-15)24-10-9-21-14(24)2/h3-11H,12H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea?
1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea has a molecular weight of 370.91 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[[4-(2-methylimidazol-1-yl)phenyl]methyl]thiourea is sourced from PubChem (CID 100640146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).