2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole

C20H22N2O2 — CID 100659308

IUPAC2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-8-10-16(11-9-15)24-14-20-21-18-6-2-3-7-19(18)22(20)13-17-5-4-12-23-17/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1
InChIKeyQDEAXEMZYFNJHE-KRWDZBQOSA-N
MW322.41 g/mol
LogP4.10
Rot. Bonds5

About 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole

2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole (PubChem CID 100659308) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
PubChem CID100659308
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2C[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H22N2O2/c1-15-8-10-16(11-9-15)24-14-20-21-18-6-2-3-7-19(18)22(20)13-17-5-4-12-23-17/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1
InChIKeyQDEAXEMZYFNJHE-KRWDZBQOSA-N
XLogP4.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310104
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 16998189
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230
2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]ethanethioamide
CID 55244932
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221139
1-[4-(4-methylphenoxy)butyl]-2-(oxolan-2-yl)benzimidazole
CID 17000130

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole (CID 100659308) is 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole is Cc1ccc(OCc2nc3ccccc3n2C[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole?
The InChIKey is QDEAXEMZYFNJHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15-8-10-16(11-9-15)24-14-20-21-18-6-2-3-7-19(18)22(20)13-17-5-4-12-23-17/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole?
2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole has a molecular weight of 322.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole is sourced from PubChem (CID 100659308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).