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

C18H20N2O2 — CID 3155840

IUPAC[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol
SMILESCc1ccccc1OCCCn1c(CO)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-14-7-2-5-10-17(14)22-12-6-11-20-16-9-4-3-8-15(16)19-18(20)13-21/h2-5,7-10,21H,6,11-13H2,1H3
InChIKeyOXEDRLJFPWHORS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.31
Rot. Bonds6

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

[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol (PubChem CID 3155840) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol
PubChem CID3155840
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol
SMILESCc1ccccc1OCCCn1c(CO)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-14-7-2-5-10-17(14)22-12-6-11-20-16-9-4-3-8-15(16)19-18(20)13-21/h2-5,7-10,21H,6,11-13H2,1H3
InChIKeyOXEDRLJFPWHORS-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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Related Compounds

Etonitazene
CID 13493
Coumarin 30
CID 100335
Protonitazene
CID 156589001
Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
N,N-Diethyl-2-((4-(1-methylethoxy)phenyl)methyl)-5-nitro-1H-benzimidazole-1-ethanamine
CID 145721979
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
3-(1-Methylbenzimidazol-2-yl)chromen-2-one
CID 951231
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride (1:1)
CID 169053

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol (CID 3155840) is [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol is Cc1ccccc1OCCCn1c(CO)nc2ccccc21.
What is the InChIKey of [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
The InChIKey is OXEDRLJFPWHORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-7-2-5-10-17(14)22-12-6-11-20-16-9-4-3-8-15(16)19-18(20)13-21/h2-5,7-10,21H,6,11-13H2,1H3.
What are the key properties of [1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol?
[1-[3-(2-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-(2-methylphenoxy)propyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 3155840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).