4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

C20H16BrN5O2 — CID 22040410

IUPAC4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(Br)c4)[nH]c3c2)ccn1
InChIInChI=1S/C20H16BrN5O2/c1-22-19(27)18-11-15(7-8-23-18)28-14-5-6-16-17(10-14)26-20(25-16)24-13-4-2-3-12(21)9-13/h2-11H,1H3,(H,22,27)(H2,24,25,26)
InChIKeyKRBHCVMERVJTBS-UHFFFAOYSA-N
MW438.29 g/mol
LogP4.62
Rot. Bonds5

About 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 22040410) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID22040410
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC Name4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(Br)c4)[nH]c3c2)ccn1
InChIInChI=1S/C20H16BrN5O2/c1-22-19(27)18-11-15(7-8-23-18)28-14-5-6-16-17(10-14)26-20(25-16)24-13-4-2-3-12(21)9-13/h2-11H,1H3,(H,22,27)(H2,24,25,26)
InChIKeyKRBHCVMERVJTBS-UHFFFAOYSA-N
XLogP4.62
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 17755116
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755117
N-methyl-4-{[2-({3-[2-(pyrrolidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}pyridine-2-carboxamide
CID 17755213
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-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)-N,N-dimethylpyridine-2-carboxamide
CID 22040403
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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 22040410) is 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(Br)c4)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is KRBHCVMERVJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c1-22-19(27)18-11-15(7-8-23-18)28-14-5-6-16-17(10-14)26-20(25-16)24-13-4-2-3-12(21)9-13/h2-11H,1H3,(H,22,27)(H2,24,25,26).
What are the key properties of 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 438.29 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-bromoanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).