1-butyl-3-methyl-2H-benzimidazole;hydrofluoride

C12H19FN2 — CID 173351817

IUPAC1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
SMILESCCCCN1CN(C)c2ccccc21.F
InChIInChI=1S/C12H18N2.FH/c1-3-4-9-14-10-13(2)11-7-5-6-8-12(11)14;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyRKVCWRMPZUWWRI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.85
Rot. Bonds3

About 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride

1-butyl-3-methyl-2H-benzimidazole;hydrofluoride (PubChem CID 173351817) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
PubChem CID173351817
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
SMILESCCCCN1CN(C)c2ccccc21.F
InChIInChI=1S/C12H18N2.FH/c1-3-4-9-14-10-13(2)11-7-5-6-8-12(11)14;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyRKVCWRMPZUWWRI-UHFFFAOYSA-N
XLogP2.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride?
The IUPAC name of 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride (CID 173351817) is 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride.
What is the SMILES notation for 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride?
The canonical SMILES for 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride is CCCCN1CN(C)c2ccccc21.F.
What is the InChIKey of 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride?
The InChIKey is RKVCWRMPZUWWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.FH/c1-3-4-9-14-10-13(2)11-7-5-6-8-12(11)14;/h5-8H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride?
1-butyl-3-methyl-2H-benzimidazole;hydrofluoride has a molecular weight of 210.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-benzimidazole;hydrofluoride is sourced from PubChem (CID 173351817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).