6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole

C11H13BrN2O — CID 112603042

IUPAC6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
SMILESCC(C)OCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H13BrN2O/c1-7(2)15-6-11-13-9-4-3-8(12)5-10(9)14-11/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyNIEBDPMMLSDJBX-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.25
Rot. Bonds3

About 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole

6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole (PubChem CID 112603042) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
PubChem CID112603042
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
SMILESCC(C)OCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H13BrN2O/c1-7(2)15-6-11-13-9-4-3-8(12)5-10(9)14-11/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyNIEBDPMMLSDJBX-UHFFFAOYSA-N
XLogP3.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propan-2-yloxymethyl)-3H-benzimidazol-5-amine
CID 112602881
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
6-bromo-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 50754096
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
CID 154729465
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016
6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole
CID 166898533
6-bromo-2-(2-propoxyethyl)-1H-benzimidazole
CID 64723125
3-[(6-bromo-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747420
6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349
3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole (CID 112603042) is 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole is CC(C)OCc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole?
The InChIKey is NIEBDPMMLSDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7(2)15-6-11-13-9-4-3-8(12)5-10(9)14-11/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole?
6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole has a molecular weight of 269.14 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole is sourced from PubChem (CID 112603042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).