2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane

C21H23ClF2N2 — CID 177134153

IUPAC2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane
SMILESCC.CCc1cc(C(c2ccc(F)c(Cl)c2)c2ncc(C)[nH]2)ccc1F
InChIInChI=1S/C19H17ClF2N2.C2H6/c1-3-12-8-13(4-6-16(12)21)18(19-23-10-11(2)24-19)14-5-7-17(22)15(20)9-14;1-2/h4-10,18H,3H2,1-2H3,(H,23,24);1-2H3
InChIKeyXBZPFRHQFGDCNO-UHFFFAOYSA-N
MW376.88 g/mol
LogP6.42
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane

2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane (PubChem CID 177134153) has the molecular formula C21H23ClF2N2 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane
PubChem CID177134153
Molecular FormulaC21H23ClF2N2
Molecular Weight376.88 g/mol
Exact Mass376.15
IUPAC Name2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane
SMILESCC.CCc1cc(C(c2ccc(F)c(Cl)c2)c2ncc(C)[nH]2)ccc1F
InChIInChI=1S/C19H17ClF2N2.C2H6/c1-3-12-8-13(4-6-16(12)21)18(19-23-10-11(2)24-19)14-5-7-17(22)15(20)9-14;1-2/h4-10,18H,3H2,1-2H3,(H,23,24);1-2H3
InChIKeyXBZPFRHQFGDCNO-UHFFFAOYSA-N
XLogP6.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.88
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole
CID 177134154
(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methanol
CID 177133956
CID 177134189
CID 177134189
N-[(R)-(3-chloro-4-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methyl]-6-(1,1-difluoroethyl)-5-fluoropyridin-2-amine;methanethiol
CID 177133944
1-(3-chloro-4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282063
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
N-[(3-chloro-4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 63155972
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
1-(3-chloro-4-fluorophenyl)-2-(ethylamino)ethanol
CID 81160048
1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748694
N-[(3-chloro-4-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 63087157

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane (CID 177134153) is 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane is CC.CCc1cc(C(c2ccc(F)c(Cl)c2)c2ncc(C)[nH]2)ccc1F.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane?
The InChIKey is XBZPFRHQFGDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2.C2H6/c1-3-12-8-13(4-6-16(12)21)18(19-23-10-11(2)24-19)14-5-7-17(22)15(20)9-14;1-2/h4-10,18H,3H2,1-2H3,(H,23,24);1-2H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane?
2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane has a molecular weight of 376.88 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)-(3-ethyl-4-fluorophenyl)methyl]-5-methyl-1H-imidazole;ethane is sourced from PubChem (CID 177134153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).