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

C23H22ClN5O3 — CID 22041162

IUPAC4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nc2cc(Oc3ccnc(C(=O)N(C)C)c3)ccc2n1C
InChIInChI=1S/C23H22ClN5O3/c1-28(2)22(30)19-13-16(9-10-25-19)32-15-6-7-20-17(12-15)26-23(29(20)3)27-18-11-14(24)5-8-21(18)31-4/h5-13H,1-4H3,(H,26,27)
InChIKeyNYTRFWPSBNBCRC-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.87
Rot. Bonds6

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

4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (PubChem CID 22041162) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
PubChem CID22041162
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1nc2cc(Oc3ccnc(C(=O)N(C)C)c3)ccc2n1C
InChIInChI=1S/C23H22ClN5O3/c1-28(2)22(30)19-13-16(9-10-25-19)32-15-6-7-20-17(12-15)26-23(29(20)3)27-18-11-14(24)5-8-21(18)31-4/h5-13H,1-4H3,(H,26,27)
InChIKeyNYTRFWPSBNBCRC-UHFFFAOYSA-N
XLogP4.87
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040616
4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037272
4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 22040603
4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037188
4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 22040948
4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide
CID 22041213
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041058
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
CID 69290969
N-[2-[[4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-formylamino]ethyl]acetamide
CID 89154478
4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 71010320

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (CID 22041162) is 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is COc1ccc(Cl)cc1Nc1nc2cc(Oc3ccnc(C(=O)N(C)C)c3)ccc2n1C.
What is the InChIKey of 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is NYTRFWPSBNBCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-28(2)22(30)19-13-16(9-10-25-19)32-15-6-7-20-17(12-15)26-23(29(20)3)27-18-11-14(24)5-8-21(18)31-4/h5-13H,1-4H3,(H,26,27).
What are the key properties of 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 22041162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).