2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C21H19BrN6O2 — CID 59790226

IUPAC2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(NC(=O)CN)c3)ccc21
InChIInChI=1S/C21H19BrN6O2/c1-28-18-7-6-15(30-16-8-9-24-19(11-16)27-20(29)12-23)10-17(18)26-21(28)25-14-4-2-13(22)3-5-14/h2-11H,12,23H2,1H3,(H,25,26)(H,24,27,29)
InChIKeyILWBBAAFFFTNLE-UHFFFAOYSA-N
MW467.33 g/mol
LogP4.16
Rot. Bonds6

About 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 59790226) has the molecular formula C21H19BrN6O2 and a molecular weight of 467.33 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID59790226
Molecular FormulaC21H19BrN6O2
Molecular Weight467.33 g/mol
Exact Mass466.08
IUPAC Name2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(NC(=O)CN)c3)ccc21
InChIInChI=1S/C21H19BrN6O2/c1-28-18-7-6-15(30-16-8-9-24-19(11-16)27-20(29)12-23)10-17(18)26-21(28)25-14-4-2-13(22)3-5-14/h2-11H,12,23H2,1H3,(H,25,26)(H,24,27,29)
InChIKeyILWBBAAFFFTNLE-UHFFFAOYSA-N
XLogP4.16
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide
CID 59789972
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-methylpiperidin-1-ium-1-carboxamide
CID 22040515
methyl N-[[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methyl]carbamate
CID 21037312
N-[(2R)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide
CID 21037084
N-(4-bromophenyl)-5-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]-1-methylbenzimidazol-2-amine
CID 21037353
N-[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 59790124
2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide
CID 69035653
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
(3-aminopyrrolidin-1-yl)-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methanone
CID 22040639
4-[2-(4-bromoanilino)-3-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
CID 167038422
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790196
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 59790061

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 59790226) is 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(NC(=O)CN)c3)ccc21.
What is the InChIKey of 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is ILWBBAAFFFTNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN6O2/c1-28-18-7-6-15(30-16-8-9-24-19(11-16)27-20(29)12-23)10-17(18)26-21(28)25-14-4-2-13(22)3-5-14/h2-11H,12,23H2,1H3,(H,25,26)(H,24,27,29).
What are the key properties of 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 467.33 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 59790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).