1H-benzimidazole;1-benzofuran;1-benzothiophene

C23H18N2OS — CID 69493929

IUPAC1H-benzimidazole;1-benzofuran;1-benzothiophene
SMILESc1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C8H6O.C8H6S.C7H6N2/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h2*1-6H;1-5H,(H,8,9)
InChIKeyCLNXHEZGKAZKIK-UHFFFAOYSA-N
MW370.48 g/mol
LogP6.90
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1-benzothiophene

1H-benzimidazole;1-benzofuran;1-benzothiophene (PubChem CID 69493929) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1-benzothiophene.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1-benzothiophene
PubChem CID69493929
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC Name1H-benzimidazole;1-benzofuran;1-benzothiophene
SMILESc1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C8H6O.C8H6S.C7H6N2/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h2*1-6H;1-5H,(H,8,9)
InChIKeyCLNXHEZGKAZKIK-UHFFFAOYSA-N
XLogP6.90
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1-benzothiophene (CID 69493929) is 1H-benzimidazole;1-benzofuran;1-benzothiophene.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1-benzothiophene?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1-benzothiophene is c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1-benzothiophene?
The InChIKey is CLNXHEZGKAZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C8H6S.C7H6N2/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h2*1-6H;1-5H,(H,8,9).
What are the key properties of 1H-benzimidazole;1-benzofuran;1-benzothiophene?
1H-benzimidazole;1-benzofuran;1-benzothiophene has a molecular weight of 370.48 g/mol, XLogP of 6.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1-benzothiophene is sourced from PubChem (CID 69493929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).