6-bromo-4-methoxy-1H-benzimidazole

C8H7BrN2O — CID 100665334

IUPAC6-bromo-4-methoxy-1H-benzimidazole
SMILESCOc1cc(Br)cc2[nH]cnc12
InChIInChI=1S/C8H7BrN2O/c1-12-7-3-5(9)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11)
InChIKeyPOJQRKWNXUKDRM-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.33
Rot. Bonds1

About 6-bromo-4-methoxy-1H-benzimidazole

6-bromo-4-methoxy-1H-benzimidazole (PubChem CID 100665334) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-4-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methoxy-1H-benzimidazole
PubChem CID100665334
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-4-methoxy-1H-benzimidazole
SMILESCOc1cc(Br)cc2[nH]cnc12
InChIInChI=1S/C8H7BrN2O/c1-12-7-3-5(9)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11)
InChIKeyPOJQRKWNXUKDRM-UHFFFAOYSA-N
XLogP2.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1H-benzimidazole
CID 78598
4-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 330939
4,7-Dimethoxy-1H-benzimidazole
CID 13295890
4-methoxy-1H-1,3-benzodiazole
CID 14970878
7-methoxy-1-methyl-1H-1,3-benzodiazol-2-amine
CID 58985989
4-methoxy-1-methyl-1H-1,3-benzodiazol-2-amine
CID 45078478
7-methoxy-1H-1,3-benzodiazol-2-amine
CID 52987703
5-Bromo-6-methoxybenzoimidazole
CID 53216933
4-Bromo-6-methoxy-1H-benzimidazole
CID 91686273
6-fluoro-5-methoxy-1H-1,3-benzodiazole
CID 54111406
Dimethoxybenzimidazole
CID 54200822
3H-[1,4]dioxino[2,3-e]benzimidazole
CID 57357367

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methoxy-1H-benzimidazole (CID 100665334) is 6-bromo-4-methoxy-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methoxy-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methoxy-1H-benzimidazole is COc1cc(Br)cc2[nH]cnc12.
What is the InChIKey of 6-bromo-4-methoxy-1H-benzimidazole?
The InChIKey is POJQRKWNXUKDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-12-7-3-5(9)2-6-8(7)11-4-10-6/h2-4H,1H3,(H,10,11).
What are the key properties of 6-bromo-4-methoxy-1H-benzimidazole?
6-bromo-4-methoxy-1H-benzimidazole has a molecular weight of 227.06 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-1H-benzimidazole is sourced from PubChem (CID 100665334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).