(1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

C20H18F3N7 — CID 97258413

IUPAC(1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESC[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18F3N7/c1-14(15-2-6-17(7-3-15)29-11-10-24-13-29)25-12-19-26-27-28-30(19)18-8-4-16(5-9-18)20(21,22)23/h2-11,13-14,25H,12H2,1H3/t14-/m1/s1
InChIKeyZQTPOMIIGLKRMX-CQSZACIVSA-N
MW413.41 g/mol
LogP3.72
Rot. Bonds6

About (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

(1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 97258413) has the molecular formula C20H18F3N7 and a molecular weight of 413.41 g/mol. Its IUPAC name is (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID97258413
Molecular FormulaC20H18F3N7
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC Name(1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESC[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H18F3N7/c1-14(15-2-6-17(7-3-15)29-11-10-24-13-29)25-12-19-26-27-28-30(19)18-8-4-16(5-9-18)20(21,22)23/h2-11,13-14,25H,12H2,1H3/t14-/m1/s1
InChIKeyZQTPOMIIGLKRMX-CQSZACIVSA-N
XLogP3.72
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 40663889
(1R)-N-[(1-phenyltetrazol-5-yl)methyl]-1-[4-(triazol-1-yl)phenyl]ethanamine
CID 99851340
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
CID 103787996
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
(1R)-1-(4-imidazol-1-ylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 9113138
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
CID 103779743

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (CID 97258413) is (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is C[C@@H](NCc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is ZQTPOMIIGLKRMX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18F3N7/c1-14(15-2-6-17(7-3-15)29-11-10-24-13-29)25-12-19-26-27-28-30(19)18-8-4-16(5-9-18)20(21,22)23/h2-11,13-14,25H,12H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
(1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 413.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-imidazol-1-ylphenyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 97258413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).