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

C24H24N4O2 — CID 160770747

IUPAC1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3c(c2)nc(NCc2ccc(C)cc2)n3C)ccn1
InChIInChI=1S/C24H24N4O2/c1-16-4-6-18(7-5-16)15-26-24-27-22-14-20(8-9-23(22)28(24)3)30-21-10-11-25-19(13-21)12-17(2)29/h4-11,13-14H,12,15H2,1-3H3,(H,26,27)
InChIKeyRZGYUUWNKONFCJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.81
Rot. Bonds7

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

1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 160770747) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
PubChem CID160770747
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3c(c2)nc(NCc2ccc(C)cc2)n3C)ccn1
InChIInChI=1S/C24H24N4O2/c1-16-4-6-18(7-5-16)15-26-24-27-22-14-20(8-9-23(22)28(24)3)30-21-10-11-25-19(13-21)12-17(2)29/h4-11,13-14H,12,15H2,1-3H3,(H,26,27)
InChIKeyRZGYUUWNKONFCJ-UHFFFAOYSA-N
XLogP4.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236
1-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 159742313
1-[4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158851241
ethyl 2-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 159027962
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167545220
N-[5-[[2-(2-amino-2-oxoethyl)-4-pyridinyl]oxy]-1-methylbenzimidazol-2-yl]-4-(chloromethyl)benzamide
CID 22040957
methyl 2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 162200780
1-methyl-2-N-[(4-methylphenyl)methyl]benzimidazole-2,5-diamine
CID 59674118
4-[[(5-methoxy-1-methylbenzimidazol-2-yl)amino]methyl]benzamide
CID 142463367
1-[ethyl(propyl)amino]-3-[4-[2-(2-fluoro-5-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160688053

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (CID 160770747) is 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2ccc3c(c2)nc(NCc2ccc(C)cc2)n3C)ccn1.
What is the InChIKey of 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The InChIKey is RZGYUUWNKONFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-4-6-18(7-5-16)15-26-24-27-22-14-20(8-9-23(22)28(24)3)30-21-10-11-25-19(13-21)12-17(2)29/h4-11,13-14H,12,15H2,1-3H3,(H,26,27).
What are the key properties of 1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 400.48 g/mol, XLogP of 4.81, 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-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 160770747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).