N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

C18H17Br2N3O — CID 26058601

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c(Br)c1
InChIInChI=1S/C18H17Br2N3O/c1-10-4-13(19)18(14(20)5-10)22-17(24)8-23-9-21-15-6-11(2)12(3)7-16(15)23/h4-7,9H,8H2,1-3H3,(H,22,24)
InChIKeyWHNFBZVFEDCMES-UHFFFAOYSA-N
MW451.16 g/mol
LogP5.13
Rot. Bonds3

About N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (PubChem CID 26058601) has the molecular formula C18H17Br2N3O and a molecular weight of 451.16 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
PubChem CID26058601
Molecular FormulaC18H17Br2N3O
Molecular Weight451.16 g/mol
Exact Mass448.97
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c(Br)c1
InChIInChI=1S/C18H17Br2N3O/c1-10-4-13(19)18(14(20)5-10)22-17(24)8-23-9-21-15-6-11(2)12(3)7-16(15)23/h4-7,9H,8H2,1-3H3,(H,22,24)
InChIKeyWHNFBZVFEDCMES-UHFFFAOYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.16
LogP ≤ 55.13
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
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
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
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 32514079
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491
3-(5,6-dimethylbenzimidazol-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 861961
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide
CID 17010606

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (CID 26058601) is N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is Cc1cc(Br)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The InChIKey is WHNFBZVFEDCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2N3O/c1-10-4-13(19)18(14(20)5-10)22-17(24)8-23-9-21-15-6-11(2)12(3)7-16(15)23/h4-7,9H,8H2,1-3H3,(H,22,24).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide has a molecular weight of 451.16 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 26058601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).