(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol

C14H11FN2O — CID 43826407

IUPAC(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H11FN2O/c15-10-6-7-11-12(8-10)17-14(16-11)13(18)9-4-2-1-3-5-9/h1-8,13,18H,(H,16,17)
InChIKeyTXTJFLZJDDJOFR-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.78
Rot. Bonds2

About (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol

(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol (PubChem CID 43826407) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol
PubChem CID43826407
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H11FN2O/c15-10-6-7-11-12(8-10)17-14(16-11)13(18)9-4-2-1-3-5-9/h1-8,13,18H,(H,16,17)
InChIKeyTXTJFLZJDDJOFR-UHFFFAOYSA-N
XLogP2.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol?
The IUPAC name of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol (CID 43826407) is (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol?
The canonical SMILES for (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol is OC(c1ccccc1)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol?
The InChIKey is TXTJFLZJDDJOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-10-6-7-11-12(8-10)17-14(16-11)13(18)9-4-2-1-3-5-9/h1-8,13,18H,(H,16,17).
What are the key properties of (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol?
(6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol has a molecular weight of 242.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-2-yl)-phenylmethanol is sourced from PubChem (CID 43826407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).