2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole

C21H26N2O — CID 18877904

IUPAC2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C21H26N2O/c1-5-20(24-17-10-8-9-16(4)13-17)21-22-18-11-6-7-12-19(18)23(21)14-15(2)3/h6-13,15,20H,5,14H2,1-4H3
InChIKeyWFAYGNGYNXUZQL-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.53
Rot. Bonds6

About 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole

2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole (PubChem CID 18877904) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
PubChem CID18877904
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C21H26N2O/c1-5-20(24-17-10-8-9-16(4)13-17)21-22-18-11-6-7-12-19(18)23(21)14-15(2)3/h6-13,15,20H,5,14H2,1-4H3
InChIKeyWFAYGNGYNXUZQL-UHFFFAOYSA-N
XLogP5.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18877927
1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878014
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
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
CID 18877810
2-[1-(3-methylphenoxy)ethyl]-1-nonylbenzimidazole
CID 18877805
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
CID 40699134
1-(2-methylprop-2-enyl)-2-[(1S)-1-phenoxypropyl]benzimidazole
CID 51567496

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole (CID 18877904) is 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole is CCC(Oc1cccc(C)c1)c1nc2ccccc2n1CC(C)C.
What is the InChIKey of 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is WFAYGNGYNXUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-5-20(24-17-10-8-9-16(4)13-17)21-22-18-11-6-7-12-19(18)23(21)14-15(2)3/h6-13,15,20H,5,14H2,1-4H3.
What are the key properties of 2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole?
2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 322.45 g/mol, XLogP of 5.53, 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-methylpropyl)benzimidazole is sourced from PubChem (CID 18877904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).