5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole

C10H8ClFN2 — CID 116883867

IUPAC5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
SMILESCc1ncc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C10H8ClFN2/c1-6-13-5-10(14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeyNRNHIIPMLUGGRA-UHFFFAOYSA-N
MW210.64 g/mol
LogP3.18
Rot. Bonds1

About 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole

5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole (PubChem CID 116883867) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
PubChem CID116883867
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
SMILESCc1ncc(-c2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C10H8ClFN2/c1-6-13-5-10(14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeyNRNHIIPMLUGGRA-UHFFFAOYSA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60843269
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
(E)-3-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]prop-2-enoic acid
CID 116880987
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828156
5-(3-bromo-4-methylphenyl)-2-methyl-1H-imidazole
CID 58170463
2-[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]azepane
CID 64570578
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
5-[4-(2,4-difluorophenoxy)phenyl]-2-methyl-1H-imidazole
CID 12043641
5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole
CID 67853105

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole (CID 116883867) is 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole is Cc1ncc(-c2ccc(F)c(Cl)c2)[nH]1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole?
The InChIKey is NRNHIIPMLUGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-6-13-5-10(14-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole?
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole has a molecular weight of 210.64 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 116883867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).