4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C23H23N5O3 — CID 22040929

IUPAC4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc3nc(Nc4ccc(C)cc4)n(C)c3cc2OC)ccn1
InChIInChI=1S/C23H23N5O3/c1-14-5-7-15(8-6-14)26-23-27-17-12-21(20(30-4)13-19(17)28(23)3)31-16-9-10-25-18(11-16)22(29)24-2/h5-13H,1-4H3,(H,24,29)(H,26,27)
InChIKeyVBSNIIVMCKCKIP-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.18
Rot. Bonds6

About 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 22040929) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID22040929
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc3nc(Nc4ccc(C)cc4)n(C)c3cc2OC)ccn1
InChIInChI=1S/C23H23N5O3/c1-14-5-7-15(8-6-14)26-23-27-17-12-21(20(30-4)13-19(17)28(23)3)31-16-9-10-25-18(11-16)22(29)24-2/h5-13H,1-4H3,(H,24,29)(H,26,27)
InChIKeyVBSNIIVMCKCKIP-UHFFFAOYSA-N
XLogP4.18
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 157167238
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 22040932
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 22040595
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
N-methyl-4-[1-methyl-2-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
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-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 22041089
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide
CID 22040922
N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
CID 22040960

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 22040929) is 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(C)cc4)n(C)c3cc2OC)ccn1.
What is the InChIKey of 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is VBSNIIVMCKCKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-5-7-15(8-6-14)26-23-27-17-12-21(20(30-4)13-19(17)28(23)3)31-16-9-10-25-18(11-16)22(29)24-2/h5-13H,1-4H3,(H,24,29)(H,26,27).
What are the key properties of 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).