N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

C18H15BrFN3O — CID 134025315

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H15BrFN3O/c19-12-7-8-14(13(20)9-12)21-17(24)10-23-16-4-2-1-3-15(16)22-18(23)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,21,24)
InChIKeyGSXKGWAIPYYJMJ-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.45
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (PubChem CID 134025315) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
PubChem CID134025315
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H15BrFN3O/c19-12-7-8-14(13(20)9-12)21-17(24)10-23-16-4-2-1-3-15(16)22-18(23)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,21,24)
InChIKeyGSXKGWAIPYYJMJ-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
N-(4-bromo-2-fluorophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518035
2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131941468
N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 86970901
2-(2-cyclohexylbenzimidazol-1-yl)-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide
CID 166348712
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445865
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide (CID 134025315) is N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is O=C(Cn1c(C2CC2)nc2ccccc21)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
The InChIKey is GSXKGWAIPYYJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c19-12-7-8-14(13(20)9-12)21-17(24)10-23-16-4-2-1-3-15(16)22-18(23)11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,21,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide has a molecular weight of 388.24 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 134025315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).