4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C22H20BrN5O2 — CID 21037208

IUPAC4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCCn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(C(=O)NC)c3)ccc21
InChIInChI=1S/C22H20BrN5O2/c1-3-28-20-9-8-16(30-17-10-11-25-19(13-17)21(29)24-2)12-18(20)27-22(28)26-15-6-4-14(23)5-7-15/h4-13H,3H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyOCRUKNPFPIICEW-UHFFFAOYSA-N
MW466.34 g/mol
LogP5.11
Rot. Bonds6

About 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 21037208) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID21037208
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC Name4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCCn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(C(=O)NC)c3)ccc21
InChIInChI=1S/C22H20BrN5O2/c1-3-28-20-9-8-16(30-17-10-11-25-19(13-17)21(29)24-2)12-18(20)27-22(28)26-15-6-4-14(23)5-7-15/h4-13H,3H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyOCRUKNPFPIICEW-UHFFFAOYSA-N
XLogP5.11
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 10217017
4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 22040598
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1-methyl-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11156649
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
4-({2-[(3-bromophenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037180
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)-N,N-dimethylpyridine-2-carboxamide
CID 22040403
4-({2-[(3-bromophenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040410
4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 22040625
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
4-({2-[(4-bromophenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040647
4-({2-[(4-tert-butylphenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040656

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 21037208) is 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CCn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(C(=O)NC)c3)ccc21.
What is the InChIKey of 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is OCRUKNPFPIICEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c1-3-28-20-9-8-16(30-17-10-11-25-19(13-17)21(29)24-2)12-18(20)27-22(28)26-15-6-4-14(23)5-7-15/h4-13H,3H2,1-2H3,(H,24,29)(H,26,27).
What are the key properties of 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 466.34 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromoanilino)-1-ethylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 21037208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).