2-chloro-6-methoxy-1H-benzimidazole

C8H7ClN2O — CID 519197

IUPAC2-chloro-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C8H7ClN2O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKeyFMDGYQOERIOABX-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.22
Rot. Bonds1

About 2-chloro-6-methoxy-1H-benzimidazole

2-chloro-6-methoxy-1H-benzimidazole (PubChem CID 519197) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-chloro-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-chloro-6-methoxy-1H-benzimidazole
PubChem CID519197
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2-chloro-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C8H7ClN2O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKeyFMDGYQOERIOABX-UHFFFAOYSA-N
XLogP2.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-chloro-6-methoxy-1H-benzimidazole (CID 519197) is 2-chloro-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-chloro-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-chloro-6-methoxy-1H-benzimidazole is COc1ccc2nc(Cl)[nH]c2c1.
What is the InChIKey of 2-chloro-6-methoxy-1H-benzimidazole?
The InChIKey is FMDGYQOERIOABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11).
What are the key properties of 2-chloro-6-methoxy-1H-benzimidazole?
2-chloro-6-methoxy-1H-benzimidazole has a molecular weight of 182.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 519197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).