2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide

C18H19N3O — CID 17028500

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C18H19N3O/c1-12-5-4-6-15(7-12)20-18(22)10-21-11-19-16-8-13(2)14(3)9-17(16)21/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyROJGULOYWZUQDH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.60
Rot. Bonds3

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide

2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 17028500) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID17028500
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C18H19N3O/c1-12-5-4-6-15(7-12)20-18(22)10-21-11-19-16-8-13(2)14(3)9-17(16)21/h4-9,11H,10H2,1-3H3,(H,20,22)
InChIKeyROJGULOYWZUQDH-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147975
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 26058601
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(4-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147973
ethyl 4-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 1147047
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide (CID 17028500) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)c1.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is ROJGULOYWZUQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-5-4-6-15(7-12)20-18(22)10-21-11-19-16-8-13(2)14(3)9-17(16)21/h4-9,11H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide?
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 17028500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).