4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

C24H27N5O2 — CID 161025794

IUPAC4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCc1cc(Nc2nc3cc(Oc4ccnc(C(N)=O)c4)ccc3n2C)ccc1C(C)C.[H][H]
InChIInChI=1S/C24H25N5O2.H2/c1-14(2)19-7-5-16(11-15(19)3)27-24-28-20-12-17(6-8-22(20)29(24)4)31-18-9-10-26-21(13-18)23(25)30;/h5-14H,1-4H3,(H2,25,30)(H,27,28);1H
InChIKeyTYYNJMAZBOYCTA-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.28
Rot. Bonds6

About 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (PubChem CID 161025794) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
PubChem CID161025794
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCc1cc(Nc2nc3cc(Oc4ccnc(C(N)=O)c4)ccc3n2C)ccc1C(C)C.[H][H]
InChIInChI=1S/C24H25N5O2.H2/c1-14(2)19-7-5-16(11-15(19)3)27-24-28-20-12-17(6-8-22(20)29(24)4)31-18-9-10-26-21(13-18)23(25)30;/h5-14H,1-4H3,(H2,25,30)(H,27,28);1H
InChIKeyTYYNJMAZBOYCTA-UHFFFAOYSA-N
XLogP5.28
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158851241
4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 159824014
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
4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen
CID 158503774
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
N-[(2R)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide
CID 21037084
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide
CID 141078945
4-[1-methyl-2-[3-propan-2-yl-4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxy-N-(4-oxopentyl)pyridine-2-carboxamide
CID 162135849

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (CID 161025794) is 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is Cc1cc(Nc2nc3cc(Oc4ccnc(C(N)=O)c4)ccc3n2C)ccc1C(C)C.[H][H].
What is the InChIKey of 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The InChIKey is TYYNJMAZBOYCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.H2/c1-14(2)19-7-5-16(11-15(19)3)27-24-28-20-12-17(6-8-22(20)29(24)4)31-18-9-10-26-21(13-18)23(25)30;/h5-14H,1-4H3,(H2,25,30)(H,27,28);1H.
What are the key properties of 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen has a molecular weight of 417.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 161025794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).