N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine

C18H16F3N3O — CID 169322272

IUPACN-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1
InChIInChI=1S/C18H16F3N3O/c1-25-15-8-2-12(3-9-15)10-22-17-23-11-16(24-17)13-4-6-14(7-5-13)18(19,20)21/h2-9,11H,10H2,1H3,(H2,22,23,24)
InChIKeyDBKXGSZTCFTRMT-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.72
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine

N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine (PubChem CID 169322272) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine
PubChem CID169322272
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine
SMILESCOc1ccc(CNc2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1
InChIInChI=1S/C18H16F3N3O/c1-25-15-8-2-12(3-9-15)10-22-17-23-11-16(24-17)13-4-6-14(7-5-13)18(19,20)21/h2-9,11H,10H2,1H3,(H2,22,23,24)
InChIKeyDBKXGSZTCFTRMT-UHFFFAOYSA-N
XLogP4.72
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
7-bromo-N-[(4-methoxyphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 156785628
2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112892604
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
CID 63954276
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
CID 91633898
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65457057
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine (CID 169322272) is N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine is COc1ccc(CNc2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine?
The InChIKey is DBKXGSZTCFTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-25-15-8-2-12(3-9-15)10-22-17-23-11-16(24-17)13-4-6-14(7-5-13)18(19,20)21/h2-9,11H,10H2,1H3,(H2,22,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine?
N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine has a molecular weight of 347.34 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine is sourced from PubChem (CID 169322272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).