1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

C16H13Cl3N2OS — CID 5482

IUPAC1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKeyQXHHHPZILQDDPS-UHFFFAOYSA-N
MW387.72 g/mol
LogP5.86
Rot. Bonds6

About 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (PubChem CID 5482) has the molecular formula C16H13Cl3N2OS and a molecular weight of 387.72 g/mol. Its IUPAC name is 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
PubChem CID5482
Molecular FormulaC16H13Cl3N2OS
Molecular Weight387.72 g/mol
Exact Mass385.98
IUPAC Name1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2
InChIKeyQXHHHPZILQDDPS-UHFFFAOYSA-N
XLogP5.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Miconazole
CID 4189
Imazalil
CID 37175
Econazole
CID 3198
Sertaconazole
CID 65863
Isoconazole
CID 3760
Sertaconazole Nitrate
CID 200103
Fenticonazole
CID 51755
Arasertaconazole
CID 6604451
Fenticonazole Nitrate
CID 51754
(S)-miconazole
CID 969503
(R)-Miconazole
CID 1150344
Econazole, (R)-
CID 6604378

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole (CID 5482) is 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is QXHHHPZILQDDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2.
What are the key properties of 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole?
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 387.72 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 5482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).