N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide

C18H18BrN5O3S — CID 169144485

IUPACN-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccnc1-c1nc(C(=O)Nc2cc(Br)cc(NS(C)(=O)=O)c2)cn1C
InChIInChI=1S/C18H18BrN5O3S/c1-11-5-4-6-20-16(11)17-22-15(10-24(17)2)18(25)21-13-7-12(19)8-14(9-13)23-28(3,26)27/h4-10,23H,1-3H3,(H,21,25)
InChIKeyZWPZOXNCOMODKK-UHFFFAOYSA-N
MW464.35 g/mol
LogP3.18
Rot. Bonds5

About N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide

N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 169144485) has the molecular formula C18H18BrN5O3S and a molecular weight of 464.35 g/mol. Its IUPAC name is N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID169144485
Molecular FormulaC18H18BrN5O3S
Molecular Weight464.35 g/mol
Exact Mass463.03
IUPAC NameN-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccnc1-c1nc(C(=O)Nc2cc(Br)cc(NS(C)(=O)=O)c2)cn1C
InChIInChI=1S/C18H18BrN5O3S/c1-11-5-4-6-20-16(11)17-22-15(10-24(17)2)18(25)21-13-7-12(19)8-14(9-13)23-28(3,26)27/h4-10,23H,1-3H3,(H,21,25)
InChIKeyZWPZOXNCOMODKK-UHFFFAOYSA-N
XLogP3.18
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)sulfonyl-2-(3-fluoro-2-pyridinyl)-1-methylimidazole-4-carboxamide
CID 155116630
N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide
CID 169144957
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-[(1R)-1-(3,5-difluorophenyl)ethoxy]-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 172540632
N-[3-bromo-5-(methanesulfonamido)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 169144760
6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450248
5-butanoyl-N-[3-chloro-5-(methanesulfonamido)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 172540647
N-[4-(methanesulfonamido)phenyl]-6-methylpyridine-2-carboxamide
CID 32696107
N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 170836257
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 169145005
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
CID 107583520
N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107578995

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 169144485) is N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide is Cc1cccnc1-c1nc(C(=O)Nc2cc(Br)cc(NS(C)(=O)=O)c2)cn1C.
What is the InChIKey of N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is ZWPZOXNCOMODKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O3S/c1-11-5-4-6-20-16(11)17-22-15(10-24(17)2)18(25)21-13-7-12(19)8-14(9-13)23-28(3,26)27/h4-10,23H,1-3H3,(H,21,25).
What are the key properties of N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide?
N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 464.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(methanesulfonamido)phenyl]-1-methyl-2-(3-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 169144485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).