3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

C23H21N3O3 — CID 1262390

IUPAC3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1OC
InChIInChI=1S/C23H21N3O3/c1-14-4-10-18-19(12-14)26-22(25-18)15-5-8-17(9-6-15)24-23(27)16-7-11-20(28-2)21(13-16)29-3/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAKCGTTPACNGXQE-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.81
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 1262390) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
PubChem CID1262390
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1OC
InChIInChI=1S/C23H21N3O3/c1-14-4-10-18-19(12-14)26-22(25-18)15-5-8-17(9-6-15)24-23(27)16-7-11-20(28-2)21(13-16)29-3/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyAKCGTTPACNGXQE-UHFFFAOYSA-N
XLogP4.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (CID 1262390) is 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The InChIKey is AKCGTTPACNGXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-4-10-18-19(12-14)26-22(25-18)15-5-8-17(9-6-15)24-23(27)16-7-11-20(28-2)21(13-16)29-3/h4-13H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1262390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).