4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide

C22H20BrN5O2 — CID 22040403

IUPAC4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1
InChIInChI=1S/C22H20BrN5O2/c1-27(2)21(29)19-13-17(10-11-24-19)30-16-8-9-20-18(12-16)26-22(28(20)3)25-15-6-4-14(23)5-7-15/h4-13H,1-3H3,(H,25,26)
InChIKeyIZEKXRNALORAHP-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.97
Rot. Bonds5

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

4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (PubChem CID 22040403) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
PubChem CID22040403
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC Name4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1
InChIInChI=1S/C22H20BrN5O2/c1-27(2)21(29)19-13-17(10-11-24-19)30-16-8-9-20-18(12-16)26-22(28(20)3)25-15-6-4-14(23)5-7-15/h4-13H,1-3H3,(H,25,26)
InChIKeyIZEKXRNALORAHP-UHFFFAOYSA-N
XLogP4.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.97
H-Bond Donors ≤ 51
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-bromophenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037180
4-({2-[(4-bromophenyl)(ethyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037208
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
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
4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)-N-ethylpyridine-2-carboxamide
CID 22040760

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (CID 22040403) is 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Br)cc2)n3C)ccn1.
What is the InChIKey of 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is IZEKXRNALORAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c1-27(2)21(29)19-13-17(10-11-24-19)30-16-8-9-20-18(12-16)26-22(28(20)3)25-15-6-4-14(23)5-7-15/h4-13H,1-3H3,(H,25,26).
What are the key properties of 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 466.34 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 22040403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).