N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide

C25H25N3O2 — CID 66965566

IUPACN-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]2)c(C)c1
InChIInChI=1S/C25H25N3O2/c1-14-6-8-19(10-15(14)2)26-25(29)18-7-9-21-22(13-18)28-24(27-21)23-16(3)11-20(30-5)12-17(23)4/h6-13H,1-5H3,(H,26,29)(H,27,28)
InChIKeyLVRBILNLPMFKOJ-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.72
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide

N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 66965566) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID66965566
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]2)c(C)c1
InChIInChI=1S/C25H25N3O2/c1-14-6-8-19(10-15(14)2)26-25(29)18-7-9-21-22(13-18)28-24(27-21)23-16(3)11-20(30-5)12-17(23)4/h6-13H,1-5H3,(H,26,29)(H,27,28)
InChIKeyLVRBILNLPMFKOJ-UHFFFAOYSA-N
XLogP5.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide (CID 66965566) is N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide is COc1cc(C)c(-c2nc3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]2)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LVRBILNLPMFKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-14-6-8-19(10-15(14)2)26-25(29)18-7-9-21-22(13-18)28-24(27-21)23-16(3)11-20(30-5)12-17(23)4/h6-13H,1-5H3,(H,26,29)(H,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).