1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol

C21H26N2O2 — CID 50745340

IUPAC1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCOc1cc(C)ccc1C
InChIInChI=1S/C21H26N2O2/c1-4-7-19(24)21-22-17-8-5-6-9-18(17)23(21)12-13-25-20-14-15(2)10-11-16(20)3/h5-6,8-11,14,19,24H,4,7,12-13H2,1-3H3
InChIKeyWTBSHCXVRLRMEW-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.57
Rot. Bonds7

About 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol

1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol (PubChem CID 50745340) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
PubChem CID50745340
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCOc1cc(C)ccc1C
InChIInChI=1S/C21H26N2O2/c1-4-7-19(24)21-22-17-8-5-6-9-18(17)23(21)12-13-25-20-14-15(2)10-11-16(20)3/h5-6,8-11,14,19,24H,4,7,12-13H2,1-3H3
InChIKeyWTBSHCXVRLRMEW-UHFFFAOYSA-N
XLogP4.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791
(1R)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735925
(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735926
1-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996509
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966712
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009823
1-[3-(2,5-dimethylphenoxy)propyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877957
2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972103
1-[4-(2,5-dimethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885088
2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972157

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
The IUPAC name of 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol (CID 50745340) is 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
The canonical SMILES for 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol is CCCC(O)c1nc2ccccc2n1CCOc1cc(C)ccc1C.
What is the InChIKey of 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
The InChIKey is WTBSHCXVRLRMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-7-19(24)21-22-17-8-5-6-9-18(17)23(21)12-13-25-20-14-15(2)10-11-16(20)3/h5-6,8-11,14,19,24H,4,7,12-13H2,1-3H3.
What are the key properties of 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol?
1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol has a molecular weight of 338.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 50745340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).