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

C19H18Cl2N4S — CID 8563284

IUPAC1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea
SMILESCc1c(Cl)cccc1NC(=S)N[C@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C19H18Cl2N4S/c1-12-15(21)4-3-5-16(12)23-19(26)24-17(18-22-10-11-25(18)2)13-6-8-14(20)9-7-13/h3-11,17H,1-2H3,(H2,23,24,26)/t17-/m1/s1
InChIKeyKFRWCIAGWAGNNE-QGZVFWFLSA-N
MW405.35 g/mol
LogP5.11
Rot. Bonds4

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

1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea (PubChem CID 8563284) has the molecular formula C19H18Cl2N4S and a molecular weight of 405.35 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea
PubChem CID8563284
Molecular FormulaC19H18Cl2N4S
Molecular Weight405.35 g/mol
Exact Mass404.06
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea
SMILESCc1c(Cl)cccc1NC(=S)N[C@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C19H18Cl2N4S/c1-12-15(21)4-3-5-16(12)23-19(26)24-17(18-22-10-11-25(18)2)13-6-8-14(20)9-7-13/h3-11,17H,1-2H3,(H2,23,24,26)/t17-/m1/s1
InChIKeyKFRWCIAGWAGNNE-QGZVFWFLSA-N
XLogP5.11
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 55.11
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-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
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N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbut-2-enamide
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2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
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N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
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(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
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1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea (CID 8563284) is 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea is Cc1c(Cl)cccc1NC(=S)N[C@H](c1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea?
The InChIKey is KFRWCIAGWAGNNE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18Cl2N4S/c1-12-15(21)4-3-5-16(12)23-19(26)24-17(18-22-10-11-25(18)2)13-6-8-14(20)9-7-13/h3-11,17H,1-2H3,(H2,23,24,26)/t17-/m1/s1.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea?
1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea has a molecular weight of 405.35 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea is sourced from PubChem (CID 8563284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).