(5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine

C19H18F5N3O2 — CID 151231761

IUPAC(5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
SMILESCN1C[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCC(F)F)c2)N=C1N
InChIInChI=1S/C19H18F5N3O2/c1-27-10-19(26-18(27)25,11-2-5-13(6-3-11)29-17(23)24)12-4-7-14(20)15(8-12)28-9-16(21)22/h2-8,16-17H,9-10H2,1H3,(H2,25,26)/t19-/m0/s1
InChIKeyNOLAKRVVJRFVMJ-IBGZPJMESA-N
MW415.36 g/mol
LogP3.57
Rot. Bonds7

About (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine

(5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine (PubChem CID 151231761) has the molecular formula C19H18F5N3O2 and a molecular weight of 415.36 g/mol. Its IUPAC name is (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
PubChem CID151231761
Molecular FormulaC19H18F5N3O2
Molecular Weight415.36 g/mol
Exact Mass415.13
IUPAC Name(5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
SMILESCN1C[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCC(F)F)c2)N=C1N
InChIInChI=1S/C19H18F5N3O2/c1-27-10-19(26-18(27)25,11-2-5-13(6-3-11)29-17(23)24)12-4-7-14(20)15(8-12)28-9-16(21)22/h2-8,16-17H,9-10H2,1H3,(H2,25,26)/t19-/m0/s1
InChIKeyNOLAKRVVJRFVMJ-IBGZPJMESA-N
XLogP3.57
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-anilinophenyl)-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141217605
5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141167351
5-[4-(difluoromethoxy)phenyl]-5-[3-(6-fluorohexyl)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141167360
5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine
CID 68735881
5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141215323
5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141178336
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
CID 25069565
5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-(2-propyl-4-pyridinyl)-4H-imidazol-2-amine
CID 141160077
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one
CID 67537147
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one
CID 25125321
5-(3-butoxy-4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-4H-imidazol-2-amine
CID 141128107
2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one
CID 71032909

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
The IUPAC name of (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine (CID 151231761) is (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine.
What is the SMILES notation for (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
The canonical SMILES for (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine is CN1C[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCC(F)F)c2)N=C1N.
What is the InChIKey of (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
The InChIKey is NOLAKRVVJRFVMJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18F5N3O2/c1-27-10-19(26-18(27)25,11-2-5-13(6-3-11)29-17(23)24)12-4-7-14(20)15(8-12)28-9-16(21)22/h2-8,16-17H,9-10H2,1H3,(H2,25,26)/t19-/m0/s1.
What are the key properties of (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine?
(5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine has a molecular weight of 415.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(2,2-difluoroethoxy)-4-fluorophenyl]-5-[4-(difluoromethoxy)phenyl]-3-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 151231761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).