2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C27H30N2O — CID 18877927

IUPAC2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C27H30N2O/c1-6-26(30-22-11-9-10-18(2)16-22)27-28-24-12-7-8-13-25(24)29(27)17-23-20(4)14-19(3)15-21(23)5/h7-16,26H,6,17H2,1-5H3
InChIKeyXQYGPVHMXXVLFG-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.85
Rot. Bonds6

About 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 18877927) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID18877927
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C27H30N2O/c1-6-26(30-22-11-9-10-18(2)16-22)27-28-24-12-7-8-13-25(24)29(27)17-23-20(4)14-19(3)15-21(23)5/h7-16,26H,6,17H2,1-5H3
InChIKeyXQYGPVHMXXVLFG-UHFFFAOYSA-N
XLogP6.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
CID 18877904
1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878014
2-[1-(3-methylphenoxy)propyl]-1-octadecylbenzimidazole
CID 18877891
2-[(1S)-1-(3-methylphenoxy)propyl]-1-prop-2-enylbenzimidazole
CID 51430276
2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
CID 18877935
1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877885
1-[3-(2,5-dimethylphenoxy)propyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877957
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
CID 18877810
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
2-[1-(3-methylphenoxy)ethyl]-1-nonylbenzimidazole
CID 18877805
1-[4-(2-methylphenoxy)butyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878039

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 18877927) is 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is CCC(Oc1cccc(C)c1)c1nc2ccccc2n1Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is XQYGPVHMXXVLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-6-26(30-22-11-9-10-18(2)16-22)27-28-24-12-7-8-13-25(24)29(27)17-23-20(4)14-19(3)15-21(23)5/h7-16,26H,6,17H2,1-5H3.
What are the key properties of 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 398.55 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 18877927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).