3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

C19H22N2O2 — CID 648297

IUPAC3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCc1ccc(OCCn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-15-8-10-16(11-9-15)23-14-12-21-18-6-3-2-5-17(18)20-19(21)7-4-13-22/h2-3,5-6,8-11,22H,4,7,12-14H2,1H3
InChIKeyCWQLPGQGUPZTFG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.35
Rot. Bonds7

About 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 648297) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
PubChem CID648297
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCc1ccc(OCCn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-15-8-10-16(11-9-15)23-14-12-21-18-6-3-2-5-17(18)20-19(21)7-4-13-22/h2-3,5-6,8-11,22H,4,7,12-14H2,1H3
InChIKeyCWQLPGQGUPZTFG-UHFFFAOYSA-N
XLogP3.35
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 4754850
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966240
3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 16995480
1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885587
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3827854
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
2-[3-(azepan-1-yl)propyl]-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18885688
2-ethyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974759
2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 19242403

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (CID 648297) is 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is Cc1ccc(OCCn2c(CCCO)nc3ccccc32)cc1.
What is the InChIKey of 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is CWQLPGQGUPZTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-8-10-16(11-9-15)23-14-12-21-18-6-3-2-5-17(18)20-19(21)7-4-13-22/h2-3,5-6,8-11,22H,4,7,12-14H2,1H3.
What are the key properties of 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 648297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).