4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid

C20H15BrN4O3 — CID 167038422

IUPAC4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
SMILESCn1c(Nc2ccc(Br)cc2)nc2ccc(Oc3ccnc(C(=O)O)c3)cc21
InChIInChI=1S/C20H15BrN4O3/c1-25-18-11-14(28-15-8-9-22-17(10-15)19(26)27)6-7-16(18)24-20(25)23-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,23,24)(H,26,27)
InChIKeyCPFJJTNVJJQNBL-UHFFFAOYSA-N
MW439.27 g/mol
LogP4.96
Rot. Bonds5

About 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid

4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid (PubChem CID 167038422) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
PubChem CID167038422
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC Name4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
SMILESCn1c(Nc2ccc(Br)cc2)nc2ccc(Oc3ccnc(C(=O)O)c3)cc21
InChIInChI=1S/C20H15BrN4O3/c1-25-18-11-14(28-15-8-9-22-17(10-15)19(26)27)6-7-16(18)24-20(25)23-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,23,24)(H,26,27)
InChIKeyCPFJJTNVJJQNBL-UHFFFAOYSA-N
XLogP4.96
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide
CID 21037084
(3-aminopyrrolidin-1-yl)-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methanone
CID 22040639
2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790226
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
methyl N-[[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methyl]carbamate
CID 21037312
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide
CID 59789972
4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041058
N-(4-bromophenyl)-5-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]-1-methylbenzimidazol-2-amine
CID 21037353
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidin-1-ium-1-carboxamide
CID 22040515
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037272

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid (CID 167038422) is 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid is Cn1c(Nc2ccc(Br)cc2)nc2ccc(Oc3ccnc(C(=O)O)c3)cc21.
What is the InChIKey of 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid?
The InChIKey is CPFJJTNVJJQNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c1-25-18-11-14(28-15-8-9-22-17(10-15)19(26)27)6-7-16(18)24-20(25)23-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,23,24)(H,26,27).
What are the key properties of 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid?
4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid has a molecular weight of 439.27 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 167038422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).