1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol

C17H15ClN2O — CID 167951820

IUPAC1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol
SMILESOC1(c2ccc(-c3cc4nc[nH]c4cc3Cl)cc2)CCC1
InChIInChI=1S/C17H15ClN2O/c18-14-9-16-15(19-10-20-16)8-13(14)11-2-4-12(5-3-11)17(21)6-1-7-17/h2-5,8-10,21H,1,6-7H2,(H,19,20)
InChIKeyOEJYEGJITKPJCH-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.25
Rot. Bonds2

About 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol

1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol (PubChem CID 167951820) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol
PubChem CID167951820
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol
SMILESOC1(c2ccc(-c3cc4nc[nH]c4cc3Cl)cc2)CCC1
InChIInChI=1S/C17H15ClN2O/c18-14-9-16-15(19-10-20-16)8-13(14)11-2-4-12(5-3-11)17(21)6-1-7-17/h2-5,8-10,21H,1,6-7H2,(H,19,20)
InChIKeyOEJYEGJITKPJCH-UHFFFAOYSA-N
XLogP4.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol?
The IUPAC name of 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol (CID 167951820) is 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol is OC1(c2ccc(-c3cc4nc[nH]c4cc3Cl)cc2)CCC1.
What is the InChIKey of 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol?
The InChIKey is OEJYEGJITKPJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-9-16-15(19-10-20-16)8-13(14)11-2-4-12(5-3-11)17(21)6-1-7-17/h2-5,8-10,21H,1,6-7H2,(H,19,20).
What are the key properties of 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol?
1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol has a molecular weight of 298.77 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-benzimidazol-5-yl)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 167951820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).