[6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol

C15H12ClFN2O2 — CID 135358876

IUPAC[6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2cc(OCc3ccc(F)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C15H12ClFN2O2/c16-11-5-12-13(19-15(7-20)18-12)6-14(11)21-8-9-1-3-10(17)4-2-9/h1-6,20H,7-8H2,(H,18,19)
InChIKeyKNXMUUJXXYOJEV-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.43
Rot. Bonds4

About [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol

[6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol (PubChem CID 135358876) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
PubChem CID135358876
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name[6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2cc(OCc3ccc(F)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C15H12ClFN2O2/c16-11-5-12-13(19-15(7-20)18-12)6-14(11)21-8-9-1-3-10(17)4-2-9/h1-6,20H,7-8H2,(H,18,19)
InChIKeyKNXMUUJXXYOJEV-UHFFFAOYSA-N
XLogP3.43
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol (CID 135358876) is [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol is OCc1nc2cc(OCc3ccc(F)cc3)c(Cl)cc2[nH]1.
What is the InChIKey of [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
The InChIKey is KNXMUUJXXYOJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-11-5-12-13(19-15(7-20)18-12)6-14(11)21-8-9-1-3-10(17)4-2-9/h1-6,20H,7-8H2,(H,18,19).
What are the key properties of [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol?
[6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol has a molecular weight of 306.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 135358876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).