[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol

C18H20N2O2 — CID 2945948

IUPAC[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol
SMILESCc1ccc(OCCCn2c(CO)nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-14-7-9-15(10-8-14)22-12-4-11-20-17-6-3-2-5-16(17)19-18(20)13-21/h2-3,5-10,21H,4,11-13H2,1H3
InChIKeyXQEOBBNMUJPWHH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.31
Rot. Bonds6

About [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol

[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol (PubChem CID 2945948) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol
PubChem CID2945948
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol
SMILESCc1ccc(OCCCn2c(CO)nc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-14-7-9-15(10-8-14)22-12-4-11-20-17-6-3-2-5-16(17)19-18(20)13-21/h2-3,5-10,21H,4,11-13H2,1H3
InChIKeyXQEOBBNMUJPWHH-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol (CID 2945948) is [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol is Cc1ccc(OCCCn2c(CO)nc3ccccc32)cc1.
What is the InChIKey of [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The InChIKey is XQEOBBNMUJPWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-7-9-15(10-8-14)22-12-4-11-20-17-6-3-2-5-16(17)19-18(20)13-21/h2-3,5-10,21H,4,11-13H2,1H3.
What are the key properties of [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol has a molecular weight of 296.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 2945948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).