2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide

C19H21N3O — CID 729287

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1C
InChIInChI=1S/C19H21N3O/c1-12-5-6-16(7-13(12)2)21-19(23)10-22-11-20-17-8-14(3)15(4)9-18(17)22/h5-9,11H,10H2,1-4H3,(H,21,23)
InChIKeyARWLYLDIQHFWME-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.91
Rot. Bonds3

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide

2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 729287) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID729287
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1C
InChIInChI=1S/C19H21N3O/c1-12-5-6-16(7-13(12)2)21-19(23)10-22-11-20-17-8-14(3)15(4)9-18(17)22/h5-9,11H,10H2,1-4H3,(H,21,23)
InChIKeyARWLYLDIQHFWME-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
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
N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147975
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 26058601
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
N-(3,4-dimethylphenyl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 11393876
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
N-(3,4-dimethylphenyl)-2-(3-iodo-1,2,4-triazol-1-yl)acetamide
CID 9404002

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 729287) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc32)cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is ARWLYLDIQHFWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-5-6-16(7-13(12)2)21-19(23)10-22-11-20-17-8-14(3)15(4)9-18(17)22/h5-9,11H,10H2,1-4H3,(H,21,23).
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.91, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 729287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).