6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole

C16H21BrN2O2 — CID 126582711

IUPAC6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole
SMILESCOCCn1c(CC2CCOCC2)nc2ccc(Br)cc21
InChIInChI=1S/C16H21BrN2O2/c1-20-9-6-19-15-11-13(17)2-3-14(15)18-16(19)10-12-4-7-21-8-5-12/h2-3,11-12H,4-10H2,1H3
InChIKeyHDSOKULCEALYMH-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.41
Rot. Bonds5

About 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole

6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole (PubChem CID 126582711) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole
PubChem CID126582711
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole
SMILESCOCCn1c(CC2CCOCC2)nc2ccc(Br)cc21
InChIInChI=1S/C16H21BrN2O2/c1-20-9-6-19-15-11-13(17)2-3-14(15)18-16(19)10-12-4-7-21-8-5-12/h2-3,11-12H,4-10H2,1H3
InChIKeyHDSOKULCEALYMH-UHFFFAOYSA-N
XLogP3.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole
CID 126582755
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
6-bromo-2-(chloromethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 65346146
ethane;methyl 2-[(2-amino-4-bromophenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 156731504
6-bromo-1-[(2-morpholin-4-ylcyclohexyl)methyl]benzimidazol-2-amine
CID 71116203
6-bromo-1-(oxan-4-yl)benzimidazol-2-amine
CID 65346881
6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
CID 65344674
6-bromo-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)ethyl]benzimidazole;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 159329509
5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
CID 22730799

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole?
The IUPAC name of 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole (CID 126582711) is 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole is COCCn1c(CC2CCOCC2)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole?
The InChIKey is HDSOKULCEALYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-20-9-6-19-15-11-13(17)2-3-14(15)18-16(19)10-12-4-7-21-8-5-12/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole?
6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole has a molecular weight of 353.26 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole is sourced from PubChem (CID 126582711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).