1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

C28H24N4O2 — CID 11751247

IUPAC1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1ccc(COc2ccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)cc2)cc1
InChIInChI=1S/C28H24N4O2/c1-20-4-6-21(7-5-20)18-34-25-11-9-24(10-12-25)32-19-31-26-15-23(8-13-27(26)32)28(33)30-17-22-3-2-14-29-16-22/h2-16,19H,17-18H2,1H3,(H,30,33)
InChIKeyRJZZFGXTKXFWBD-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.24
Rot. Bonds7

About 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 11751247) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID11751247
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1ccc(COc2ccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)cc2)cc1
InChIInChI=1S/C28H24N4O2/c1-20-4-6-21(7-5-20)18-34-25-11-9-24(10-12-25)32-19-31-26-15-23(8-13-27(26)32)28(33)30-17-22-3-2-14-29-16-22/h2-16,19H,17-18H2,1H3,(H,30,33)
InChIKeyRJZZFGXTKXFWBD-UHFFFAOYSA-N
XLogP5.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
N-(pyridin-3-ylmethyl)-1-[4-[2-[2-(trifluoromethoxy)phenoxy]ethoxy]phenyl]benzimidazole-5-carboxamide
CID 67011613
ethyl 4-[4-[5-(pyridin-3-ylmethylcarbamoyl)benzimidazol-1-yl]phenoxy]hexanoate
CID 69069769
1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11328540
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide
CID 4546936
N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
CID 170106123
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
1-[3-[(4-chlorocyclohexyl)methylamino]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 143011539

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 11751247) is 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is Cc1ccc(COc2ccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is RJZZFGXTKXFWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-20-4-6-21(7-5-20)18-34-25-11-9-24(10-12-25)32-19-31-26-15-23(8-13-27(26)32)28(33)30-17-22-3-2-14-29-16-22/h2-16,19H,17-18H2,1H3,(H,30,33).
What are the key properties of 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 11751247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).