2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole

C20H22N2O3 — CID 103597043

IUPAC2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3c(C)cccc3[nH]2)ccc1OCC1CCCO1
InChIInChI=1S/C20H22N2O3/c1-13-5-3-7-16-19(13)22-20(21-16)14-8-9-17(18(11-14)23-2)25-12-15-6-4-10-24-15/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,21,22)
InChIKeySVPPUEMZYINRGW-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.10
Rot. Bonds5

About 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole

2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole (PubChem CID 103597043) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole
PubChem CID103597043
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3c(C)cccc3[nH]2)ccc1OCC1CCCO1
InChIInChI=1S/C20H22N2O3/c1-13-5-3-7-16-19(13)22-20(21-16)14-8-9-17(18(11-14)23-2)25-12-15-6-4-10-24-15/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,21,22)
InChIKeySVPPUEMZYINRGW-UHFFFAOYSA-N
XLogP4.10
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole (CID 103597043) is 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole is COc1cc(-c2nc3c(C)cccc3[nH]2)ccc1OCC1CCCO1.
What is the InChIKey of 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole?
The InChIKey is SVPPUEMZYINRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-5-3-7-16-19(13)22-20(21-16)14-8-9-17(18(11-14)23-2)25-12-15-6-4-10-24-15/h3,5,7-9,11,15H,4,6,10,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole?
2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole has a molecular weight of 338.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 103597043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).