4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C21H17Br2N5O2 — CID 22041058

IUPAC4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2Br)n3C)ccn1
InChIInChI=1S/C21H17Br2N5O2/c1-24-20(29)18-11-14(7-8-25-18)30-13-4-6-19-17(10-13)27-21(28(19)2)26-16-5-3-12(22)9-15(16)23/h3-11H,1-2H3,(H,24,29)(H,26,27)
InChIKeyBYAOERONAGHGJF-UHFFFAOYSA-N
MW531.21 g/mol
LogP5.39
Rot. Bonds5

About 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 22041058) has the molecular formula C21H17Br2N5O2 and a molecular weight of 531.21 g/mol. Its IUPAC name is 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID22041058
Molecular FormulaC21H17Br2N5O2
Molecular Weight531.21 g/mol
Exact Mass528.97
IUPAC Name4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2Br)n3C)ccn1
InChIInChI=1S/C21H17Br2N5O2/c1-24-20(29)18-11-14(7-8-25-18)30-13-4-6-19-17(10-13)27-21(28(19)2)26-16-5-3-12(22)9-15(16)23/h3-11H,1-2H3,(H,24,29)(H,26,27)
InChIKeyBYAOERONAGHGJF-UHFFFAOYSA-N
XLogP5.39
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.21
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 71010320
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
4-[2-(5-bromo-3-fluoro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;4-[2-(3-fluoro-2-methoxy-5-pyridin-4-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;pyridin-4-ylboronic acid
CID 158714703
N-methyl-4-[1-methyl-2-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449
N-[(2R)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide
CID 21037084
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
4-[3-amino-4-(methylamino)phenoxy]-N-methylpyridine-2-carboxamide;4-[2-(3-bromo-4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;N-(3-bromo-4-chlorophenyl)methanethioamide;ethane
CID 158075439

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 22041058) is 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2Br)n3C)ccn1.
What is the InChIKey of 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is BYAOERONAGHGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2N5O2/c1-24-20(29)18-11-14(7-8-25-18)30-13-4-6-19-17(10-13)27-21(28(19)2)26-16-5-3-12(22)9-15(16)23/h3-11H,1-2H3,(H,24,29)(H,26,27).
What are the key properties of 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 531.21 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22041058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).