7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide

C18H14BrClF3N3O2 — CID 146458608

IUPAC7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(Br)c21
InChIInChI=1S/C18H14BrClF3N3O2/c1-9(2)26-8-24-13-7-12(15(21)14(19)16(13)26)17(27)25-10-3-5-11(6-4-10)28-18(20,22)23/h3-9H,1-2H3,(H,25,27)
InChIKeyPRGAZIUFCGOGFC-UHFFFAOYSA-N
MW476.68 g/mol
LogP5.94
Rot. Bonds5

About 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 146458608) has the molecular formula C18H14BrClF3N3O2 and a molecular weight of 476.68 g/mol. Its IUPAC name is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID146458608
Molecular FormulaC18H14BrClF3N3O2
Molecular Weight476.68 g/mol
Exact Mass474.99
IUPAC Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(Br)c21
InChIInChI=1S/C18H14BrClF3N3O2/c1-9(2)26-8-24-13-7-12(15(21)14(19)16(13)26)17(27)25-10-3-5-11(6-4-10)28-18(20,22)23/h3-9H,1-2H3,(H,25,27)
InChIKeyPRGAZIUFCGOGFC-UHFFFAOYSA-N
XLogP5.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.68
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-7-(2-methoxypyrimidin-5-yl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 146507824
N-[4-[chloro(difluoro)methoxy]phenyl]-7-[(4-methoxyphenyl)methylamino]-1-propan-2-ylbenzimidazole-5-carboxamide
CID 146458670
N-[4-[chloro(difluoro)methoxy]phenyl]-7-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-1-propan-2-ylbenzimidazole-5-carboxamide
CID 146458698
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146507803
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2S)-3-fluorobutan-2-yl]-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
CID 161448598
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1S)-1-cyclopropylethyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146508269
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-pent-4-yn-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 161448596
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-cyanopropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 146509062
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methylsulfanylbenzimidazole-5-carboxamide
CID 146458715
N-[4-[chloro(difluoro)methoxy]phenyl]-1-(2,2-difluoroethyl)-7-[(E)-1-[(methylideneamino)methylideneamino]prop-1-en-2-yl]benzimidazole-5-carboxamide
CID 146509058
N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 145388893
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 146458658

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide (CID 146458608) is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide is CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)c(F)c(Br)c21.
What is the InChIKey of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is PRGAZIUFCGOGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClF3N3O2/c1-9(2)26-8-24-13-7-12(15(21)14(19)16(13)26)17(27)25-10-3-5-11(6-4-10)28-18(20,22)23/h3-9H,1-2H3,(H,25,27).
What are the key properties of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide?
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 476.68 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-fluoro-1-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 146458608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).