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

C19H22N2O2 — CID 652963

IUPAC3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCc1cccc(OCCn2c(CCCO)nc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-15-6-4-7-16(14-15)23-13-11-21-18-9-3-2-8-17(18)20-19(21)10-5-12-22/h2-4,6-9,14,22H,5,10-13H2,1H3
InChIKeyCTVPZOHMDPZXSW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.35
Rot. Bonds7

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

3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 652963) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
PubChem CID652963
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCc1cccc(OCCn2c(CCCO)nc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-15-6-4-7-16(14-15)23-13-11-21-18-9-3-2-8-17(18)20-19(21)10-5-12-22/h2-4,6-9,14,22H,5,10-13H2,1H3
InChIKeyCTVPZOHMDPZXSW-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

Etonitazene
CID 13493
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
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
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
1-{2-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl}-2-(4-methoxyphenyl)-3-methyl-1H-3,1-benzimidazol-3-ium chloride
CID 2834416

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (CID 652963) is 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is Cc1cccc(OCCn2c(CCCO)nc3ccccc32)c1.
What is the InChIKey of 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is CTVPZOHMDPZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-6-4-7-16(14-15)23-13-11-21-18-9-3-2-8-17(18)20-19(21)10-5-12-22/h2-4,6-9,14,22H,5,10-13H2,1H3.
What are the key properties of 3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[2-(3-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-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 652963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).