N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

C19H17BrFN3OS — CID 55774651

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)N(C)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C19H17BrFN3OS/c1-23(12-14-10-15(20)6-7-17(14)21)18(25)13-4-3-5-16(11-13)24-9-8-22-19(24)26-2/h3-11H,12H2,1-2H3
InChIKeyZJJSCXCPAHWVBM-UHFFFAOYSA-N
MW434.33 g/mol
LogP4.77
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55774651) has the molecular formula C19H17BrFN3OS and a molecular weight of 434.33 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55774651
Molecular FormulaC19H17BrFN3OS
Molecular Weight434.33 g/mol
Exact Mass433.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)N(C)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C19H17BrFN3OS/c1-23(12-14-10-15(20)6-7-17(14)21)18(25)13-4-3-5-16(11-13)24-9-8-22-19(24)26-2/h3-11H,12H2,1-2H3
InChIKeyZJJSCXCPAHWVBM-UHFFFAOYSA-N
XLogP4.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770624
N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 55773686
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 86950261
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 48735281
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55771223
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55767153
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 55579436
N-[(5-bromo-2-fluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78852078

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55774651) is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1cccc(C(=O)N(C)Cc2cc(Br)ccc2F)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is ZJJSCXCPAHWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3OS/c1-23(12-14-10-15(20)6-7-17(14)21)18(25)13-4-3-5-16(11-13)24-9-8-22-19(24)26-2/h3-11H,12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 434.33 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55774651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).