1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

C19H21ClN2O2 — CID 23607145

IUPAC1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-3-18(23)19-21-16-6-4-5-7-17(16)22(19)10-11-24-14-8-9-15(20)13(2)12-14/h4-9,12,18,23H,3,10-11H2,1-2H3
InChIKeyYNJFIJHXLPDZSO-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.52
Rot. Bonds6

About 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 23607145) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
PubChem CID23607145
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-3-18(23)19-21-16-6-4-5-7-17(16)22(19)10-11-24-14-8-9-15(20)13(2)12-14/h4-9,12,18,23H,3,10-11H2,1-2H3
InChIKeyYNJFIJHXLPDZSO-UHFFFAOYSA-N
XLogP4.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
N-[1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965428
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol
CID 5090775
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999140

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (CID 23607145) is 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is CCC(O)c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is YNJFIJHXLPDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-18(23)19-21-16-6-4-5-7-17(16)22(19)10-11-24-14-8-9-15(20)13(2)12-14/h4-9,12,18,23H,3,10-11H2,1-2H3.
What are the key properties of 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 344.84 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 23607145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).