trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol

C21H24N4O — CID 154803272

IUPACtrans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1NCc1cccnc1
InChIInChI=1S/C21H24N4O/c26-20-12-17(11-19(20)24-14-16-5-4-8-22-13-16)15-25-10-9-23-21(25)18-6-2-1-3-7-18/h1-10,13,17,19-20,24,26H,11-12,14-15H2/t17?,19-,20-/m1/s1
InChIKeyFBNLIZJXZGLUPZ-IPNZSQQUSA-N
MW348.45 g/mol
LogP2.87
Rot. Bonds6

About trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol

trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol (PubChem CID 154803272) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol
PubChem CID154803272
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Nametrans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1NCc1cccnc1
InChIInChI=1S/C21H24N4O/c26-20-12-17(11-19(20)24-14-16-5-4-8-22-13-16)15-25-10-9-23-21(25)18-6-2-1-3-7-18/h1-10,13,17,19-20,24,26H,11-12,14-15H2/t17?,19-,20-/m1/s1
InChIKeyFBNLIZJXZGLUPZ-IPNZSQQUSA-N
XLogP2.87
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 146153846
trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 167799613
trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 167968281
3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 90494491
5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide
CID 146110603
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide
CID 146110636
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide
CID 154802839
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide
CID 146110580
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methylfuran-3-carboxamide
CID 146110617
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-(5-methylfuran-2-yl)acetamide
CID 146110609
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol (CID 154803272) is trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1NCc1cccnc1.
What is the InChIKey of trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol?
The InChIKey is FBNLIZJXZGLUPZ-IPNZSQQUSA-N. The full InChI is InChI=1S/C21H24N4O/c26-20-12-17(11-19(20)24-14-16-5-4-8-22-13-16)15-25-10-9-23-21(25)18-6-2-1-3-7-18/h1-10,13,17,19-20,24,26H,11-12,14-15H2/t17?,19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol?
trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol has a molecular weight of 348.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 154803272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).