1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol

C16H21ClN2O2 — CID 18921898

IUPAC1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
SMILESCOc1ccc(C(O)CCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-21-13-6-7-14(15(17)11-13)16(20)5-3-2-4-9-19-10-8-18-12-19/h6-8,10-12,16,20H,2-5,9H2,1H3
InChIKeyYSBKTKFYPBFQRU-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.84
Rot. Bonds8

About 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol

1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol (PubChem CID 18921898) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
PubChem CID18921898
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
SMILESCOc1ccc(C(O)CCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-21-13-6-7-14(15(17)11-13)16(20)5-3-2-4-9-19-10-8-18-12-19/h6-8,10-12,16,20H,2-5,9H2,1H3
InChIKeyYSBKTKFYPBFQRU-UHFFFAOYSA-N
XLogP3.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.84
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

1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-imidazol-1-ylpropyl)butanamide
CID 84556329
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
1-(7-methyloctyl)imidazole
CID 59001100
1-[2-(4-chlorophenoxy)ethylamino]-5-imidazol-1-ylpentan-1-ol;dihydrochloride
CID 70213779

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol (CID 18921898) is 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol is COc1ccc(C(O)CCCCCn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol?
The InChIKey is YSBKTKFYPBFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-21-13-6-7-14(15(17)11-13)16(20)5-3-2-4-9-19-10-8-18-12-19/h6-8,10-12,16,20H,2-5,9H2,1H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol?
1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol has a molecular weight of 308.81 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol is sourced from PubChem (CID 18921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).