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

C28H24N4O2 — CID 11166793

IUPAC1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1ccc(COc2cccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)c2)cc1
InChIInChI=1S/C28H24N4O2/c1-20-7-9-21(10-8-20)18-34-25-6-2-5-24(15-25)32-19-31-26-14-23(11-12-27(26)32)28(33)30-17-22-4-3-13-29-16-22/h2-16,19H,17-18H2,1H3,(H,30,33)
InChIKeyQDYKBBYZWNGRCV-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.24
Rot. Bonds7

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

1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 11166793) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID11166793
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1ccc(COc2cccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)c2)cc1
InChIInChI=1S/C28H24N4O2/c1-20-7-9-21(10-8-20)18-34-25-6-2-5-24(15-25)32-19-31-26-14-23(11-12-27(26)32)28(33)30-17-22-4-3-13-29-16-22/h2-16,19H,17-18H2,1H3,(H,30,33)
InChIKeyQDYKBBYZWNGRCV-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 11166793) is 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is Cc1ccc(COc2cccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)c2)cc1.
What is the InChIKey of 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is QDYKBBYZWNGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-20-7-9-21(10-8-20)18-34-25-6-2-5-24(15-25)32-19-31-26-14-23(11-12-27(26)32)28(33)30-17-22-4-3-13-29-16-22/h2-16,19H,17-18H2,1H3,(H,30,33).
What are the key properties of 1-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-[3-[(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-[3-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 11166793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).