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

C24H25N5O2 — CID 21037272

IUPAC4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)N(C)C)c4)ccc3n2C)cc1
InChIInChI=1S/C24H25N5O2/c1-5-16-6-8-17(9-7-16)26-24-27-20-14-18(10-11-22(20)29(24)4)31-19-12-13-25-21(15-19)23(30)28(2)3/h6-15H,5H2,1-4H3,(H,26,27)
InChIKeyYTHBQVOAOWBRDN-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.77
Rot. Bonds6

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

4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (PubChem CID 21037272) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
PubChem CID21037272
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)N(C)C)c4)ccc3n2C)cc1
InChIInChI=1S/C24H25N5O2/c1-5-16-6-8-17(9-7-16)26-24-27-20-14-18(10-11-22(20)29(24)4)31-19-12-13-25-21(15-19)23(30)28(2)3/h6-15H,5H2,1-4H3,(H,26,27)
InChIKeyYTHBQVOAOWBRDN-UHFFFAOYSA-N
XLogP4.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037188
ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 159027962
N-(4-ethylphenyl)-1-methyl-5-[[2-(nitrosomethyl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 91229348
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 22041162
N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040616
tert-butyl 4-[2-(4-fluoroanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylate
CID 21037368
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 22041012
3-tert-butyl-4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid
CID 22040894
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-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (CID 21037272) is 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is CCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)N(C)C)c4)ccc3n2C)cc1.
What is the InChIKey of 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is YTHBQVOAOWBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-5-16-6-8-17(9-7-16)26-24-27-20-14-18(10-11-22(20)29(24)4)31-19-12-13-25-21(15-19)23(30)28(2)3/h6-15H,5H2,1-4H3,(H,26,27).
What are the key properties of 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 21037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).