4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole

C13H14BrClN2O — CID 71272508

IUPAC4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole
SMILESCc1nc2c(Br)cc(Cl)cc2n1C1CCCCO1
InChIInChI=1S/C13H14BrClN2O/c1-8-16-13-10(14)6-9(15)7-11(13)17(8)12-4-2-3-5-18-12/h6-7,12H,2-5H2,1H3
InChIKeyLYPGOLBUMSIWQS-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.46
Rot. Bonds1

About 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole

4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole (PubChem CID 71272508) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole.

Molecular Properties

Compound Name4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole
PubChem CID71272508
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole
SMILESCc1nc2c(Br)cc(Cl)cc2n1C1CCCCO1
InChIInChI=1S/C13H14BrClN2O/c1-8-16-13-10(14)6-9(15)7-11(13)17(8)12-4-2-3-5-18-12/h6-7,12H,2-5H2,1H3
InChIKeyLYPGOLBUMSIWQS-UHFFFAOYSA-N
XLogP4.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 134455317
6-chloro-8-methyl-9-[(2R)-oxan-2-yl]purine
CID 129389721
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968
5-bromo-2-methyl-1-(oxolan-2-yl)imidazole
CID 172992818
6-chloro-4-ethynyl-1-(oxan-2-yl)indazole
CID 134298715
5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310061
2-bromo-N-(4-chlorophenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574830
5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole
CID 71272225
8-methyl-9-(oxan-2-yl)purine
CID 133062486
[6-chloro-1-(oxan-2-yl)benzimidazol-4-yl]methylcarbamic acid
CID 71272416

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole?
The IUPAC name of 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole (CID 71272508) is 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole.
What is the SMILES notation for 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole?
The canonical SMILES for 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole is Cc1nc2c(Br)cc(Cl)cc2n1C1CCCCO1.
What is the InChIKey of 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole?
The InChIKey is LYPGOLBUMSIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-8-16-13-10(14)6-9(15)7-11(13)17(8)12-4-2-3-5-18-12/h6-7,12H,2-5H2,1H3.
What are the key properties of 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole?
4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole has a molecular weight of 329.63 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-methyl-1-(oxan-2-yl)benzimidazole is sourced from PubChem (CID 71272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).