(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol

C20H24N2O2 — CID 6998441

IUPAC(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESCc1ccc(OCCCCn2c([C@@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)24-14-6-5-13-22-19-8-4-3-7-18(19)21-20(22)16(2)23/h3-4,7-12,16,23H,5-6,13-14H2,1-2H3/t16-/m1/s1
InChIKeyLVNSTELSZNLVKR-MRXNPFEDSA-N
MW324.42 g/mol
LogP4.26
Rot. Bonds7

About (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol

(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol (PubChem CID 6998441) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
PubChem CID6998441
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESCc1ccc(OCCCCn2c([C@@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)24-14-6-5-13-22-19-8-4-3-7-18(19)21-20(22)16(2)23/h3-4,7-12,16,23H,5-6,13-14H2,1-2H3/t16-/m1/s1
InChIKeyLVNSTELSZNLVKR-MRXNPFEDSA-N
XLogP4.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.26
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

(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040
1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 18879423
1-[4-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565
2-methyl-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970194
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol (CID 6998441) is (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol is Cc1ccc(OCCCCn2c([C@@H](C)O)nc3ccccc32)cc1.
What is the InChIKey of (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol?
The InChIKey is LVNSTELSZNLVKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-9-11-17(12-10-15)24-14-6-5-13-22-19-8-4-3-7-18(19)21-20(22)16(2)23/h3-4,7-12,16,23H,5-6,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol?
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol has a molecular weight of 324.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 6998441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).