2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol

C21H26N2O2 — CID 19242272

IUPAC2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol
SMILESCc1ccc(C)c(OCCCn2c(C(C)(C)O)nc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-15-10-11-16(2)19(14-15)25-13-7-12-23-18-9-6-5-8-17(18)22-20(23)21(3,4)24/h5-6,8-11,14,24H,7,12-13H2,1-4H3
InChIKeyLCMQWVGYTZSENT-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.35
Rot. Bonds6

About 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol

2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol (PubChem CID 19242272) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol
PubChem CID19242272
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol
SMILESCc1ccc(C)c(OCCCn2c(C(C)(C)O)nc3ccccc32)c1
InChIInChI=1S/C21H26N2O2/c1-15-10-11-16(2)19(14-15)25-13-7-12-23-18-9-6-5-8-17(18)22-20(23)21(3,4)24/h5-6,8-11,14,24H,7,12-13H2,1-4H3
InChIKeyLCMQWVGYTZSENT-UHFFFAOYSA-N
XLogP4.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
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-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
2-tert-butyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 17000411
2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
CID 19242286
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996795
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 17027789
N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981490
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propan-2-ol
CID 19242287
2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-2-ol
CID 19242241
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16998023

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol (CID 19242272) is 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol is Cc1ccc(C)c(OCCCn2c(C(C)(C)O)nc3ccccc32)c1.
What is the InChIKey of 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol?
The InChIKey is LCMQWVGYTZSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-10-11-16(2)19(14-15)25-13-7-12-23-18-9-6-5-8-17(18)22-20(23)21(3,4)24/h5-6,8-11,14,24H,7,12-13H2,1-4H3.
What are the key properties of 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol?
2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol has a molecular weight of 338.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol is sourced from PubChem (CID 19242272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).