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

C19H22N2O2 — CID 3155847

IUPAC[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol
SMILESCc1cccc(OCCCCn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-15-7-6-8-16(13-15)23-12-5-4-11-21-18-10-3-2-9-17(18)20-19(21)14-22/h2-3,6-10,13,22H,4-5,11-12,14H2,1H3
InChIKeySJCOAYPCGYXSPD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds7

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

[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol (PubChem CID 3155847) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol
PubChem CID3155847
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol
SMILESCc1cccc(OCCCCn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-15-7-6-8-16(13-15)23-12-5-4-11-21-18-10-3-2-9-17(18)20-19(21)14-22/h2-3,6-10,13,22H,4-5,11-12,14H2,1H3
InChIKeySJCOAYPCGYXSPD-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol (CID 3155847) is [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol is Cc1cccc(OCCCCn2c(CO)nc3ccccc32)c1.
What is the InChIKey of [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
The InChIKey is SJCOAYPCGYXSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-7-6-8-16(13-15)23-12-5-4-11-21-18-10-3-2-9-17(18)20-19(21)14-22/h2-3,6-10,13,22H,4-5,11-12,14H2,1H3.
What are the key properties of [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol has a molecular weight of 310.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 3155847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).