2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol

C20H24N2O3 — CID 19242415

IUPAC2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESCOc1cccc(OCCCCn2c(CCO)nc3ccccc32)c1
InChIInChI=1S/C20H24N2O3/c1-24-16-7-6-8-17(15-16)25-14-5-4-12-22-19-10-3-2-9-18(19)21-20(22)11-13-23/h2-3,6-10,15,23H,4-5,11-14H2,1H3
InChIKeyMZDMPKDXPYULJN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.44
Rot. Bonds9

About 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol

2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol (PubChem CID 19242415) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
PubChem CID19242415
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESCOc1cccc(OCCCCn2c(CCO)nc3ccccc32)c1
InChIInChI=1S/C20H24N2O3/c1-24-16-7-6-8-17(15-16)25-14-5-4-12-22-19-10-3-2-9-18(19)21-20(22)11-13-23/h2-3,6-10,15,23H,4-5,11-14H2,1H3
InChIKeyMZDMPKDXPYULJN-UHFFFAOYSA-N
XLogP3.44
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974210
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988739
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975254
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
CID 16981184
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989225

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol (CID 19242415) is 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol is COc1cccc(OCCCCn2c(CCO)nc3ccccc32)c1.
What is the InChIKey of 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
The InChIKey is MZDMPKDXPYULJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-16-7-6-8-17(15-16)25-14-5-4-12-22-19-10-3-2-9-18(19)21-20(22)11-13-23/h2-3,6-10,15,23H,4-5,11-14H2,1H3.
What are the key properties of 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol has a molecular weight of 340.42 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 19242415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).