2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole

C12H12Cl2N2O — CID 110539783

IUPAC2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole
SMILESCC(C)Oc1c(Cl)cc(-c2ncc[nH]2)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-7(2)17-11-9(13)5-8(6-10(11)14)12-15-3-4-16-12/h3-7H,1-2H3,(H,15,16)
InChIKeyNOKZQSQXDKKSBQ-UHFFFAOYSA-N
MW271.15 g/mol
LogP4.17
Rot. Bonds3

About 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole

2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole (PubChem CID 110539783) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole
PubChem CID110539783
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole
SMILESCC(C)Oc1c(Cl)cc(-c2ncc[nH]2)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-7(2)17-11-9(13)5-8(6-10(11)14)12-15-3-4-16-12/h3-7H,1-2H3,(H,15,16)
InChIKeyNOKZQSQXDKKSBQ-UHFFFAOYSA-N
XLogP4.17
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,5-trichlorophenyl)-1H-imidazole
CID 143938570
2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole
CID 56715581
2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1-methylsulfonylimidazole
CID 110535930
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-(1H-pyrazol-4-yl)-1H-imidazole
CID 22037665
2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole
CID 110539967
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
2,6-difluoro-4-(1H-imidazol-2-yl)-N-methylaniline
CID 174721174
2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
CID 87924536
ethane;2-phenyl-1H-imidazole
CID 142210082
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole?
The IUPAC name of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole (CID 110539783) is 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole is CC(C)Oc1c(Cl)cc(-c2ncc[nH]2)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole?
The InChIKey is NOKZQSQXDKKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-7(2)17-11-9(13)5-8(6-10(11)14)12-15-3-4-16-12/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole?
2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole has a molecular weight of 271.15 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole is sourced from PubChem (CID 110539783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).