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

C19H22N2O2 — CID 3155846

IUPAC[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol
SMILESCc1ccccc1OCCCCn1c(CO)nc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-15-8-2-5-11-18(15)23-13-7-6-12-21-17-10-4-3-9-16(17)20-19(21)14-22/h2-5,8-11,22H,6-7,12-14H2,1H3
InChIKeyYEWMBRYMNOCMSQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds7

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

[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol (PubChem CID 3155846) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol
PubChem CID3155846
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol
SMILESCc1ccccc1OCCCCn1c(CO)nc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-15-8-2-5-11-18(15)23-13-7-6-12-21-17-10-4-3-9-16(17)20-19(21)14-22/h2-5,8-11,22H,6-7,12-14H2,1H3
InChIKeyYEWMBRYMNOCMSQ-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-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol (CID 3155846) is [1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol is Cc1ccccc1OCCCCn1c(CO)nc2ccccc21.
What is the InChIKey of [1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
The InChIKey is YEWMBRYMNOCMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-8-2-5-11-18(15)23-13-7-6-12-21-17-10-4-3-9-16(17)20-19(21)14-22/h2-5,8-11,22H,6-7,12-14H2,1H3.
What are the key properties of [1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol?
[1-[4-(2-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-(2-methylphenoxy)butyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 3155846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).