2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole

C19H20N2O2 — CID 2991156

IUPAC2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole
SMILESCC=Cc1ccc(OCc2nc3ccccc3n2C)c(OC)c1
InChIInChI=1S/C19H20N2O2/c1-4-7-14-10-11-17(18(12-14)22-3)23-13-19-20-15-8-5-6-9-16(15)21(19)2/h4-12H,13H2,1-3H3
InChIKeyHTCRFRFWYCVNPM-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.19
Rot. Bonds5

About 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole

2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole (PubChem CID 2991156) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole
PubChem CID2991156
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole
SMILESCC=Cc1ccc(OCc2nc3ccccc3n2C)c(OC)c1
InChIInChI=1S/C19H20N2O2/c1-4-7-14-10-11-17(18(12-14)22-3)23-13-19-20-15-8-5-6-9-16(15)21(19)2/h4-12H,13H2,1-3H3
InChIKeyHTCRFRFWYCVNPM-UHFFFAOYSA-N
XLogP4.19
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 2988325
1-[3-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
CID 51103696
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999294
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-(2-phenylethyl)benzimidazole
CID 16999516
N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005991
N-[3-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]formamide
CID 2988717
2-[(4-chlorophenyl)methyl]-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16995848
1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987459
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 16996695
2-methoxy-N-[[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006614
4-[3-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]propyl]morpholine
CID 18885473

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole (CID 2991156) is 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole is CC=Cc1ccc(OCc2nc3ccccc3n2C)c(OC)c1.
What is the InChIKey of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole?
The InChIKey is HTCRFRFWYCVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-7-14-10-11-17(18(12-14)22-3)23-13-19-20-15-8-5-6-9-16(15)21(19)2/h4-12H,13H2,1-3H3.
What are the key properties of 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole?
2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole has a molecular weight of 308.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 2991156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).