(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane

C11H12BrFIN2OP — CID 146232535

IUPAC(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane
SMILESCC(C)n1c(COPI)nc2c(F)cc(Br)cc21
InChIInChI=1S/C11H12BrFIN2OP/c1-6(2)16-9-4-7(12)3-8(13)11(9)15-10(16)5-17-18-14/h3-4,6,18H,5H2,1-2H3
InChIKeyUUPOULDLJRIKCQ-UHFFFAOYSA-N
MW445.01 g/mol
LogP4.98
Rot. Bonds4

About (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane

(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane (PubChem CID 146232535) has the molecular formula C11H12BrFIN2OP and a molecular weight of 445.01 g/mol. Its IUPAC name is (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane.

Molecular Properties

Compound Name(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane
PubChem CID146232535
Molecular FormulaC11H12BrFIN2OP
Molecular Weight445.01 g/mol
Exact Mass443.89
IUPAC Name(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane
SMILESCC(C)n1c(COPI)nc2c(F)cc(Br)cc21
InChIInChI=1S/C11H12BrFIN2OP/c1-6(2)16-9-4-7(12)3-8(13)11(9)15-10(16)5-17-18-14/h3-4,6,18H,5H2,1-2H3
InChIKeyUUPOULDLJRIKCQ-UHFFFAOYSA-N
XLogP4.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole
CID 146219887
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133
6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole
CID 138622341
7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane
CID 166121068
4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole
CID 145449351
tert-butyl N-[(2R)-2-(6-bromo-4-fluoro-2-methylbenzimidazol-1-yl)propyl]carbamate
CID 153446305
6-bromo-4-fluoro-1,2-dimethylbenzimidazole
CID 146232538
[6-bromo-1-(3,3-difluorocyclobutyl)-4-fluorobenzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
CID 153446323
(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol
CID 146219945
(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)methoxy-tert-butyl-dimethylsilane
CID 153446322
[6-bromo-4-fluoro-1-(oxetan-3-yl)benzimidazol-2-yl]methoxy-tert-butyl-dimethylsilane
CID 155639721
potassium;N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;deuterio(fluoro)methane;2-methylpropan-2-olate
CID 161399158

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane?
The IUPAC name of (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane (CID 146232535) is (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane.
What is the SMILES notation for (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane?
The canonical SMILES for (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane is CC(C)n1c(COPI)nc2c(F)cc(Br)cc21.
What is the InChIKey of (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane?
The InChIKey is UUPOULDLJRIKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFIN2OP/c1-6(2)16-9-4-7(12)3-8(13)11(9)15-10(16)5-17-18-14/h3-4,6,18H,5H2,1-2H3.
What are the key properties of (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane?
(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane has a molecular weight of 445.01 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane is sourced from PubChem (CID 146232535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).