4-fluoro-5-methoxy-1H-benzimidazole

C8H7FN2O — CID 130850479

IUPAC4-fluoro-5-methoxy-1H-benzimidazole
SMILESCOc1ccc2[nH]cnc2c1F
InChIInChI=1S/C8H7FN2O/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11)
InChIKeyUXXCVFQCQXAYBW-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.71
Rot. Bonds1

About 4-fluoro-5-methoxy-1H-benzimidazole

4-fluoro-5-methoxy-1H-benzimidazole (PubChem CID 130850479) has the molecular formula C8H7FN2O and a molecular weight of 166.16 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1H-benzimidazole
PubChem CID130850479
Molecular FormulaC8H7FN2O
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name4-fluoro-5-methoxy-1H-benzimidazole
SMILESCOc1ccc2[nH]cnc2c1F
InChIInChI=1S/C8H7FN2O/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11)
InChIKeyUXXCVFQCQXAYBW-UHFFFAOYSA-N
XLogP1.71
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethoxy-1H-benzimidazole
CID 54423692
8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
4-fluoro-5-methylsulfanyl-1H-benzimidazole
CID 131073113
7-methoxy-3H-imidazo[4,5-c]pyridine
CID 76845964
4-methoxy-5-methyl-1H-benzimidazole
CID 91306611
5-chloro-4-methoxy-1H-benzimidazole
CID 130049294
4,5-difluoro-1H-benzimidazole;penta-1,3-diyne
CID 160711396
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
4-(4-methoxy-3-pyridinyl)-1H-benzimidazole
CID 66835930
9-fluoro-8-methoxy-5H-pyrido[3,2-b]indole
CID 170621338
5-(difluoromethoxy)-1H-benzimidazole-4-thiol
CID 131169605
5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-benzimidazole
CID 118330653

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1H-benzimidazole?
The IUPAC name of 4-fluoro-5-methoxy-1H-benzimidazole (CID 130850479) is 4-fluoro-5-methoxy-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-5-methoxy-1H-benzimidazole?
The canonical SMILES for 4-fluoro-5-methoxy-1H-benzimidazole is COc1ccc2[nH]cnc2c1F.
What is the InChIKey of 4-fluoro-5-methoxy-1H-benzimidazole?
The InChIKey is UXXCVFQCQXAYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-12-6-3-2-5-8(7(6)9)11-4-10-5/h2-4H,1H3,(H,10,11).
What are the key properties of 4-fluoro-5-methoxy-1H-benzimidazole?
4-fluoro-5-methoxy-1H-benzimidazole has a molecular weight of 166.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1H-benzimidazole is sourced from PubChem (CID 130850479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).