2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide

C24H20BrN3O2 — CID 46288947

IUPAC2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(C(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C24H20BrN3O2/c1-2-16-7-3-4-8-19(16)26-22(29)15-28-21-10-6-5-9-20(21)27-24(28)23(30)17-11-13-18(25)14-12-17/h3-14H,2,15H2,1H3,(H,26,29)
InChIKeyBALIYBUTVZRDBM-UHFFFAOYSA-N
MW462.35 g/mol
LogP5.23
Rot. Bonds6

About 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide

2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 46288947) has the molecular formula C24H20BrN3O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID46288947
Molecular FormulaC24H20BrN3O2
Molecular Weight462.35 g/mol
Exact Mass461.07
IUPAC Name2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(C(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C24H20BrN3O2/c1-2-16-7-3-4-8-19(16)26-22(29)15-28-21-10-6-5-9-20(21)27-24(28)23(30)17-11-13-18(25)14-12-17/h3-14H,2,15H2,1H3,(H,26,29)
InChIKeyBALIYBUTVZRDBM-UHFFFAOYSA-N
XLogP5.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028969
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46288978
2-[2-(3-fluorobenzoyl)benzimidazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46289010
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129384
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide (CID 46288947) is 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)Cn1c(C(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is BALIYBUTVZRDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O2/c1-2-16-7-3-4-8-19(16)26-22(29)15-28-21-10-6-5-9-20(21)27-24(28)23(30)17-11-13-18(25)14-12-17/h3-14H,2,15H2,1H3,(H,26,29).
What are the key properties of 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide?
2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 462.35 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromobenzoyl)benzimidazol-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 46288947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).