2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole

C14H16ClFN2 — CID 164927319

IUPAC2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole
SMILESCn1cc(-c2ccc(F)c(Cl)c2)nc1C(C)(C)C
InChIInChI=1S/C14H16ClFN2/c1-14(2,3)13-17-12(8-18(13)4)9-5-6-11(16)10(15)7-9/h5-8H,1-4H3
InChIKeyRCFGPUXILIFMJN-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.18
Rot. Bonds1

About 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole

2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole (PubChem CID 164927319) has the molecular formula C14H16ClFN2 and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole
PubChem CID164927319
Molecular FormulaC14H16ClFN2
Molecular Weight266.75 g/mol
Exact Mass266.10
IUPAC Name2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole
SMILESCn1cc(-c2ccc(F)c(Cl)c2)nc1C(C)(C)C
InChIInChI=1S/C14H16ClFN2/c1-14(2,3)13-17-12(8-18(13)4)9-5-6-11(16)10(15)7-9/h5-8H,1-4H3
InChIKeyRCFGPUXILIFMJN-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-2-tert-butyl-1-methylimidazole
CID 58970273
2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine
CID 81166343
4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide
CID 59836613
6-(3-chloro-4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115403389
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
6-bromo-2-(3-chloro-4-fluorophenyl)-5-methylimidazo[1,2-a]pyridine
CID 115403666
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61337081
6-bromo-2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridine
CID 67122995
2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-6-amine
CID 63944685
2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 104573626
[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol
CID 90062081
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole?
The IUPAC name of 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole (CID 164927319) is 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole.
What is the SMILES notation for 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole?
The canonical SMILES for 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole is Cn1cc(-c2ccc(F)c(Cl)c2)nc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole?
The InChIKey is RCFGPUXILIFMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2/c1-14(2,3)13-17-12(8-18(13)4)9-5-6-11(16)10(15)7-9/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole?
2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole has a molecular weight of 266.75 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-chloro-4-fluorophenyl)-1-methylimidazole is sourced from PubChem (CID 164927319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).