2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole

C18H17BrF2N2O — CID 175973182

IUPAC2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole
SMILESCOCCn1c(Cc2c(F)cc(Br)cc2F)nc2cccc(C)c21
InChIInChI=1S/C18H17BrF2N2O/c1-11-4-3-5-16-18(11)23(6-7-24-2)17(22-16)10-13-14(20)8-12(19)9-15(13)21/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyLOYRZUVVOGOLIK-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.62
Rot. Bonds5

About 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole

2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole (PubChem CID 175973182) has the molecular formula C18H17BrF2N2O and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole
PubChem CID175973182
Molecular FormulaC18H17BrF2N2O
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole
SMILESCOCCn1c(Cc2c(F)cc(Br)cc2F)nc2cccc(C)c21
InChIInChI=1S/C18H17BrF2N2O/c1-11-4-3-5-16-18(11)23(6-7-24-2)17(22-16)10-13-14(20)8-12(19)9-15(13)21/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyLOYRZUVVOGOLIK-UHFFFAOYSA-N
XLogP4.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-bromo-3-pyridinyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole
CID 177255041
2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117164895
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763412
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
methyl 2-[(4-bromo-2,3,6-trifluorophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 171472598
tert-butyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-4-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 166088470
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082
3-(2-bromo-3-fluorophenyl)-5-(chloromethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397450
2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)-7-methylbenzimidazole
CID 115552991
[5-(5-bromo-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395966
4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
The IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole (CID 175973182) is 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
The canonical SMILES for 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole is COCCn1c(Cc2c(F)cc(Br)cc2F)nc2cccc(C)c21.
What is the InChIKey of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
The InChIKey is LOYRZUVVOGOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O/c1-11-4-3-5-16-18(11)23(6-7-24-2)17(22-16)10-13-14(20)8-12(19)9-15(13)21/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole?
2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole has a molecular weight of 395.25 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-difluorophenyl)methyl]-1-(2-methoxyethyl)-7-methylbenzimidazole is sourced from PubChem (CID 175973182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).