1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

C25H26N4O2 — CID 159742313

IUPAC1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)C)c2)n3C)ccn1
InChIInChI=1S/C25H26N4O2/c1-16(2)18-6-5-7-19(13-18)27-25-28-23-15-21(8-9-24(23)29(25)4)31-22-10-11-26-20(14-22)12-17(3)30/h5-11,13-16H,12H2,1-4H3,(H,27,28)
InChIKeyNCPPZLCNIAEILN-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.76
Rot. Bonds7

About 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 159742313) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
PubChem CID159742313
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)C)c2)n3C)ccn1
InChIInChI=1S/C25H26N4O2/c1-16(2)18-6-5-7-19(13-18)27-25-28-23-15-21(8-9-24(23)29(25)4)31-22-10-11-26-20(14-22)12-17(3)30/h5-11,13-16H,12H2,1-4H3,(H,27,28)
InChIKeyNCPPZLCNIAEILN-UHFFFAOYSA-N
XLogP5.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one with MolForge

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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
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158670057
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
methyl 2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 162200780
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-cyclopropylethanone
CID 158421252
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-piperidin-4-ylethanone
CID 159616371
2-[4-[2-(4-chloro-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 161210208
1-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(4-ethylpiperazin-1-yl)propan-2-one
CID 159369842
1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236
4-[1-methyl-2-(3-propan-2-yloxyanilino)benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91490598

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (CID 159742313) is 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)C)c2)n3C)ccn1.
What is the InChIKey of 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The InChIKey is NCPPZLCNIAEILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16(2)18-6-5-7-19(13-18)27-25-28-23-15-21(8-9-24(23)29(25)4)31-22-10-11-26-20(14-22)12-17(3)30/h5-11,13-16H,12H2,1-4H3,(H,27,28).
What are the key properties of 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 414.51 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 159742313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).