(2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol

C26H27N3O2 — CID 69277399

IUPAC(2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ncc(-c2ccc(OCC(c3ccccc3)c3ccccc3)cc2)[nH]1
InChIInChI=1S/C26H27N3O2/c1-26(27,18-30)25-28-16-24(29-25)21-12-14-22(15-13-21)31-17-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,23,30H,17-18,27H2,1H3,(H,28,29)/t26-/m0/s1
InChIKeyJSPOGTHBKNXZBT-SANMLTNESA-N
MW413.52 g/mol
LogP4.45
Rot. Bonds8

About (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol

(2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol (PubChem CID 69277399) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol
PubChem CID69277399
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ncc(-c2ccc(OCC(c3ccccc3)c3ccccc3)cc2)[nH]1
InChIInChI=1S/C26H27N3O2/c1-26(27,18-30)25-28-16-24(29-25)21-12-14-22(15-13-21)31-17-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,23,30H,17-18,27H2,1H3,(H,28,29)/t26-/m0/s1
InChIKeyJSPOGTHBKNXZBT-SANMLTNESA-N
XLogP4.45
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol with MolForge

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Related Compounds

bis[(1S)-1-amino-1-(5-phenyl-1H-imidazol-2-yl)ethyl] oxalate
CID 134207850
2-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentan-2-amine
CID 60849093
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60846812
2-[5-[4-[difluoro-(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-2-methylpropan-1-ol
CID 25008260
1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
CID 18532951
2-[5-[4-(2-methoxyethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65460263
2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
CID 116881349
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79812866
2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
CID 12986051
2-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-2-amine
CID 65457057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol (CID 69277399) is (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol is C[C@](N)(CO)c1ncc(-c2ccc(OCC(c3ccccc3)c3ccccc3)cc2)[nH]1.
What is the InChIKey of (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is JSPOGTHBKNXZBT-SANMLTNESA-N. The full InChI is InChI=1S/C26H27N3O2/c1-26(27,18-30)25-28-16-24(29-25)21-12-14-22(15-13-21)31-17-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,23,30H,17-18,27H2,1H3,(H,28,29)/t26-/m0/s1.
What are the key properties of (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol?
(2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 413.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[5-[4-(2,2-diphenylethoxy)phenyl]-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 69277399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).