1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole

C22H26N2O2 — CID 2232290

IUPAC1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole
SMILESC/C=C/c1ccc(OCCCn2cnc3cc(C)c(C)cc32)c(OC)c1
InChIInChI=1S/C22H26N2O2/c1-5-7-18-8-9-21(22(14-18)25-4)26-11-6-10-24-15-23-19-12-16(2)17(3)13-20(19)24/h5,7-9,12-15H,6,10-11H2,1-4H3/b7-5+
InChIKeyJRUWMUKSJLWPBQ-FNORWQNLSA-N
MW350.46 g/mol
LogP5.16
Rot. Bonds7

About 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole

1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole (PubChem CID 2232290) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole
PubChem CID2232290
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole
SMILESC/C=C/c1ccc(OCCCn2cnc3cc(C)c(C)cc32)c(OC)c1
InChIInChI=1S/C22H26N2O2/c1-5-7-18-8-9-21(22(14-18)25-4)26-11-6-10-24-15-23-19-12-16(2)17(3)13-20(19)24/h5,7-9,12-15H,6,10-11H2,1-4H3/b7-5+
InChIKeyJRUWMUKSJLWPBQ-FNORWQNLSA-N
XLogP5.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]benzimidazole;oxalic acid
CID 2966036
1-[4-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 2977634
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole
CID 2199762
1-[4-(2,4-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995055
1-[2-(2-butoxyphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 2231812
1-[4-(2,5-dimethylphenoxy)butyl]-5,6-dimethylbenzimidazole
CID 16995057
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 17000188
2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 16996695
5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 962401
2-(2,4-dimethylphenyl)-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16987621

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole (CID 2232290) is 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole is C/C=C/c1ccc(OCCCn2cnc3cc(C)c(C)cc32)c(OC)c1.
What is the InChIKey of 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole?
The InChIKey is JRUWMUKSJLWPBQ-FNORWQNLSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-7-18-8-9-21(22(14-18)25-4)26-11-6-10-24-15-23-19-12-16(2)17(3)13-20(19)24/h5,7-9,12-15H,6,10-11H2,1-4H3/b7-5+.
What are the key properties of 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole?
1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole has a molecular weight of 350.46 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 2232290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).