3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

C27H29N3O — CID 17007275

IUPAC3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C27H29N3O/c1-17-9-8-10-22(13-17)27(31)28-15-26-29-24-11-6-7-12-25(24)30(26)16-23-20(4)18(2)14-19(3)21(23)5/h6-14H,15-16H2,1-5H3,(H,28,31)
InChIKeyHUAFHGMHKXESNN-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.56
Rot. Bonds5

About 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007275) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17007275
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C27H29N3O/c1-17-9-8-10-22(13-17)27(31)28-15-26-29-24-11-6-7-12-25(24)30(26)16-23-20(4)18(2)14-19(3)21(23)5/h6-14H,15-16H2,1-5H3,(H,28,31)
InChIKeyHUAFHGMHKXESNN-UHFFFAOYSA-N
XLogP5.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008237
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
N-[[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029473
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208
N-[[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007322
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007291
3-bromo-N-[5-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990589

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17007275) is 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is Cc1cccc(C(=O)NCc2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is HUAFHGMHKXESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-17-9-8-10-22(13-17)27(31)28-15-26-29-24-11-6-7-12-25(24)30(26)16-23-20(4)18(2)14-19(3)21(23)5/h6-14H,15-16H2,1-5H3,(H,28,31).
What are the key properties of 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).