4-methoxy-1H-benzimidazole

C8H8N2O — CID 14970878

IUPAC4-methoxy-1H-benzimidazole
SMILESCOc1cccc2[nH]cnc12
InChIInChI=1S/C8H8N2O/c1-11-7-4-2-3-6-8(7)10-5-9-6/h2-5H,1H3,(H,9,10)
InChIKeyKEINCPBIVGNTSZ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.57
Rot. Bonds1

About 4-methoxy-1H-benzimidazole

4-methoxy-1H-benzimidazole (PubChem CID 14970878) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-methoxy-1H-benzimidazole
PubChem CID14970878
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name4-methoxy-1H-benzimidazole
SMILESCOc1cccc2[nH]cnc12
InChIInChI=1S/C8H8N2O/c1-11-7-4-2-3-6-8(7)10-5-9-6/h2-5H,1H3,(H,9,10)
InChIKeyKEINCPBIVGNTSZ-UHFFFAOYSA-N
XLogP1.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-benzimidazole?
The IUPAC name of 4-methoxy-1H-benzimidazole (CID 14970878) is 4-methoxy-1H-benzimidazole.
What is the SMILES notation for 4-methoxy-1H-benzimidazole?
The canonical SMILES for 4-methoxy-1H-benzimidazole is COc1cccc2[nH]cnc12.
What is the InChIKey of 4-methoxy-1H-benzimidazole?
The InChIKey is KEINCPBIVGNTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-8(7)10-5-9-6/h2-5H,1H3,(H,9,10).
What are the key properties of 4-methoxy-1H-benzimidazole?
4-methoxy-1H-benzimidazole has a molecular weight of 148.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-benzimidazole is sourced from PubChem (CID 14970878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).