N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide

C18H17BrFN3O — CID 55899331

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C18H17BrFN3O/c1-2-17-22-15-5-3-4-6-16(15)23(17)11-18(24)21-10-12-9-13(20)7-8-14(12)19/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyFVJSOGGJLYDECL-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.82
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide

N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide (PubChem CID 55899331) has the molecular formula C18H17BrFN3O and a molecular weight of 390.26 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
PubChem CID55899331
Molecular FormulaC18H17BrFN3O
Molecular Weight390.26 g/mol
Exact Mass389.05
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C18H17BrFN3O/c1-2-17-22-15-5-3-4-6-16(15)23(17)11-18(24)21-10-12-9-13(20)7-8-14(12)19/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyFVJSOGGJLYDECL-UHFFFAOYSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 26286960
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CID 17417716
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CID 55889267
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CID 34641233
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CID 5023490
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
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CID 40696855
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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide (CID 55899331) is N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide is CCc1nc2ccccc2n1CC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The InChIKey is FVJSOGGJLYDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O/c1-2-17-22-15-5-3-4-6-16(15)23(17)11-18(24)21-10-12-9-13(20)7-8-14(12)19/h3-9H,2,10-11H2,1H3,(H,21,24).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide has a molecular weight of 390.26 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 55899331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).