4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide

C25H26BrN5O4 — CID 22040932

IUPAC4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Br)c(C)c4)n(C)c3cc2OC)ccn1
InChIInChI=1S/C25H26BrN5O4/c1-15-11-16(5-6-18(15)26)29-25-30-19-13-23(22(34-4)14-21(19)31(25)2)35-17-7-8-27-20(12-17)24(32)28-9-10-33-3/h5-8,11-14H,9-10H2,1-4H3,(H,28,32)(H,29,30)
InChIKeyAIGBBPDBDCLPOY-UHFFFAOYSA-N
MW540.42 g/mol
LogP4.96
Rot. Bonds9

About 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide

4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 22040932) has the molecular formula C25H26BrN5O4 and a molecular weight of 540.42 g/mol. Its IUPAC name is 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID22040932
Molecular FormulaC25H26BrN5O4
Molecular Weight540.42 g/mol
Exact Mass539.12
IUPAC Name4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Br)c(C)c4)n(C)c3cc2OC)ccn1
InChIInChI=1S/C25H26BrN5O4/c1-15-11-16(5-6-18(15)26)29-25-30-19-13-23(22(34-4)14-21(19)31(25)2)35-17-7-8-27-20(12-17)24(32)28-9-10-33-3/h5-8,11-14H,9-10H2,1-4H3,(H,28,32)(H,29,30)
InChIKeyAIGBBPDBDCLPOY-UHFFFAOYSA-N
XLogP4.96
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.42
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 22040595
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 22041268
4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040929
N-[4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-N-methylformamide
CID 87899713
4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 157167238
4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 22040603
4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 22040948
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide
CID 22040922
4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 22040431
4-[1-methyl-2-(4-methyl-3-propan-2-ylanilino)benzimidazol-5-yl]oxy-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide;molecular hydrogen
CID 159595230
N-[(2R)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide
CID 21037084
4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen
CID 158503774

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 22040932) is 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Br)c(C)c4)n(C)c3cc2OC)ccn1.
What is the InChIKey of 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is AIGBBPDBDCLPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN5O4/c1-15-11-16(5-6-18(15)26)29-25-30-19-13-23(22(34-4)14-21(19)31(25)2)35-17-7-8-27-20(12-17)24(32)28-9-10-33-3/h5-8,11-14H,9-10H2,1-4H3,(H,28,32)(H,29,30).
What are the key properties of 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 540.42 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 22040932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).