2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole

C19H24ClFN2O4S — CID 177133881

IUPAC2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole
SMILESCOC1CCC(O[C@H](c2ccc(F)c(Cl)c2)c2nc(S(C)(=O)=O)c(C)[nH]2)CC1
InChIInChI=1S/C19H24ClFN2O4S/c1-11-19(28(3,24)25)23-18(22-11)17(12-4-9-16(21)15(20)10-12)27-14-7-5-13(26-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3,(H,22,23)/t13?,14?,17-/m1/s1
InChIKeyMDKHRRXOICBBOO-MQBCKMQZSA-N
MW430.93 g/mol
LogP3.98
Rot. Bonds6

About 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole

2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole (PubChem CID 177133881) has the molecular formula C19H24ClFN2O4S and a molecular weight of 430.93 g/mol. Its IUPAC name is 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole.

Molecular Properties

Compound Name2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole
PubChem CID177133881
Molecular FormulaC19H24ClFN2O4S
Molecular Weight430.93 g/mol
Exact Mass430.11
IUPAC Name2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole
SMILESCOC1CCC(O[C@H](c2ccc(F)c(Cl)c2)c2nc(S(C)(=O)=O)c(C)[nH]2)CC1
InChIInChI=1S/C19H24ClFN2O4S/c1-11-19(28(3,24)25)23-18(22-11)17(12-4-9-16(21)15(20)10-12)27-14-7-5-13(26-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3,(H,22,23)/t13?,14?,17-/m1/s1
InChIKeyMDKHRRXOICBBOO-MQBCKMQZSA-N
XLogP3.98
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole with MolForge

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Related Compounds

2-[(R)-(3-chloro-4-fluorophenyl)-spiro[3.3]heptan-2-yloxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole
CID 177134015
5-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methyl]pyridin-2-amine
CID 177134060
(3-chloro-4-fluorophenyl)-(5-methyl-4-methylsulfonyl-1H-imidazol-2-yl)methanol;(2R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 177133846
[2-[(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-5-methyl-1H-imidazol-4-yl]-imino-methyl-oxo-λ6-sulfane
CID 177134008
N-[(3-chloro-4-fluorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-6-cyclopropyl-5-fluoropyridin-2-amine
CID 177134092
2-[(R)-(3-chloro-4-fluorophenyl)-[(3,3-difluorocyclobutyl)methoxy]methyl]-5-methyl-1H-imidazole-4-sulfinamide
CID 177134023
N-[(3-chloro-4-fluorophenyl)-[5-methyl-4-(methylsulfonimidoyl)-1H-imidazol-2-yl]methyl]-6-ethyl-5-fluoropyridin-2-amine
CID 177133866
2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 66836132
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
2-chloro-1-fluoro-4-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 23076687
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole?
The IUPAC name of 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole (CID 177133881) is 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole.
What is the SMILES notation for 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole?
The canonical SMILES for 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole is COC1CCC(O[C@H](c2ccc(F)c(Cl)c2)c2nc(S(C)(=O)=O)c(C)[nH]2)CC1.
What is the InChIKey of 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole?
The InChIKey is MDKHRRXOICBBOO-MQBCKMQZSA-N. The full InChI is InChI=1S/C19H24ClFN2O4S/c1-11-19(28(3,24)25)23-18(22-11)17(12-4-9-16(21)15(20)10-12)27-14-7-5-13(26-2)6-8-14/h4,9-10,13-14,17H,5-8H2,1-3H3,(H,22,23)/t13?,14?,17-/m1/s1.
What are the key properties of 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole?
2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole has a molecular weight of 430.93 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(3-chloro-4-fluorophenyl)-(4-methoxycyclohexyl)oxymethyl]-5-methyl-4-methylsulfonyl-1H-imidazole is sourced from PubChem (CID 177133881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).