4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol

C11H12F2N2O — CID 79200737

IUPAC4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
SMILESCC(O)CCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H12F2N2O/c1-6(16)2-3-11-14-9-4-7(12)8(13)5-10(9)15-11/h4-6,16H,2-3H2,1H3,(H,14,15)
InChIKeyMYHXAKTVKIPDQE-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.15
Rot. Bonds3

About 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol

4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol (PubChem CID 79200737) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
PubChem CID79200737
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
SMILESCC(O)CCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H12F2N2O/c1-6(16)2-3-11-14-9-4-7(12)8(13)5-10(9)15-11/h4-6,16H,2-3H2,1H3,(H,14,15)
InChIKeyMYHXAKTVKIPDQE-UHFFFAOYSA-N
XLogP2.15
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
N-[2-(3-hydroxybutyl)-3H-benzimidazol-5-yl]formamide
CID 168652422
2-[(3R)-3-hydroxybutyl]-3H-benzimidazole-5-carboxylate
CID 6937344
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368
5-(5,6-difluoro-1H-benzimidazol-2-yl)pentanoic acid
CID 43470849
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336897
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336878
2-(5,6-difluoro-1H-benzimidazol-2-yl)acetonitrile
CID 64724109
3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
CID 80539436
4-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)butan-2-one
CID 83857705

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol?
The IUPAC name of 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol (CID 79200737) is 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol?
The canonical SMILES for 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol is CC(O)CCc1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol?
The InChIKey is MYHXAKTVKIPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-6(16)2-3-11-14-9-4-7(12)8(13)5-10(9)15-11/h4-6,16H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol?
4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol has a molecular weight of 226.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 79200737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).