2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole

C14H20N2O — CID 975612

IUPAC2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
SMILESCC[C@H](C)Cn1c(COC)nc2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-11(2)9-16-13-8-6-5-7-12(13)15-14(16)10-17-3/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyXVTXACQXOWDAAX-NSHDSACASA-N
MW232.33 g/mol
LogP3.23
Rot. Bonds5

About 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole

2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole (PubChem CID 975612) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
PubChem CID975612
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
SMILESCC[C@H](C)Cn1c(COC)nc2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-11(2)9-16-13-8-6-5-7-12(13)15-14(16)10-17-3/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyXVTXACQXOWDAAX-NSHDSACASA-N
XLogP3.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 3344843
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571
2-(chloromethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 55135180
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(methoxymethyl)benzimidazole
CID 16996938
3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
CID 17007896
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole?
The IUPAC name of 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole (CID 975612) is 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole is CC[C@H](C)Cn1c(COC)nc2ccccc21.
What is the InChIKey of 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole?
The InChIKey is XVTXACQXOWDAAX-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-11(2)9-16-13-8-6-5-7-12(13)15-14(16)10-17-3/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole?
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole is sourced from PubChem (CID 975612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).