1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea

C19H20N4OS — CID 167465585

IUPAC1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea
SMILESCOc1cccc(CN(Cc2cccc(-n3ccnc3)c2)C(N)=S)c1
InChIInChI=1S/C19H20N4OS/c1-24-18-7-3-5-16(11-18)13-23(19(20)25)12-15-4-2-6-17(10-15)22-9-8-21-14-22/h2-11,14H,12-13H2,1H3,(H2,20,25)
InChIKeyYPIPGADQSOPIGL-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.13
Rot. Bonds6

About 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea

1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea (PubChem CID 167465585) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea
PubChem CID167465585
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea
SMILESCOc1cccc(CN(Cc2cccc(-n3ccnc3)c2)C(N)=S)c1
InChIInChI=1S/C19H20N4OS/c1-24-18-7-3-5-16(11-18)13-23(19(20)25)12-15-4-2-6-17(10-15)22-9-8-21-14-22/h2-11,14H,12-13H2,1H3,(H2,20,25)
InChIKeyYPIPGADQSOPIGL-UHFFFAOYSA-N
XLogP3.13
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(dimethylamino)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 167465619
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
CID 167465773
N-[(3-imidazol-1-ylphenyl)methyl]-2-[2-[(3-methoxyphenyl)methoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466401
5-[2-[3-(dimethylamino)phenoxy]ethoxy]-N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 167466322
3-[2-[[4-[(3-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methoxy]ethoxy]-N,N-dimethylaniline
CID 167465647
1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
CID 72710327
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole
CID 69342185
N-[(3-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 71847643
2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784
1-[[4-[(4-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167465768

Frequently Asked Questions

What is the IUPAC name of 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea (CID 167465585) is 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea is COc1cccc(CN(Cc2cccc(-n3ccnc3)c2)C(N)=S)c1.
What is the InChIKey of 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea?
The InChIKey is YPIPGADQSOPIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-24-18-7-3-5-16(11-18)13-23(19(20)25)12-15-4-2-6-17(10-15)22-9-8-21-14-22/h2-11,14H,12-13H2,1H3,(H2,20,25).
What are the key properties of 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea?
1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea has a molecular weight of 352.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 167465585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).