2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

C26H27N3O — CID 16996200

IUPAC2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1ccccc1Cc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C26H27N3O/c1-19(2)29(22-13-5-4-6-14-22)26(30)18-28-24-16-10-9-15-23(24)27-25(28)17-21-12-8-7-11-20(21)3/h4-16,19H,17-18H2,1-3H3
InChIKeyDNKGZDBMVZAVKH-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.38
Rot. Bonds6

About 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 16996200) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID16996200
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCc1ccccc1Cc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C
InChIInChI=1S/C26H27N3O/c1-19(2)29(22-13-5-4-6-14-22)26(30)18-28-24-16-10-9-15-23(24)27-25(28)17-21-12-8-7-11-20(21)3/h4-16,19H,17-18H2,1-3H3
InChIKeyDNKGZDBMVZAVKH-UHFFFAOYSA-N
XLogP5.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[2-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979203
2-(2-methylphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973287
2-(2-pentylbenzimidazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 3279039
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419
2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17006636
N-phenyl-N-propan-2-yl-2-[2-[(4-propan-2-ylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998698
N-benzyl-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16995805
3,4,5-trimethoxy-N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008651
N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032388
N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974116
2-[2-[5-[(2-methoxyacetyl)amino]pentyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16988433
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 16996200) is 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is Cc1ccccc1Cc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C.
What is the InChIKey of 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is DNKGZDBMVZAVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-19(2)29(22-13-5-4-6-14-22)26(30)18-28-24-16-10-9-15-23(24)27-25(28)17-21-12-8-7-11-20(21)3/h4-16,19H,17-18H2,1-3H3.
What are the key properties of 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 397.52 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 16996200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).