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Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C19H24N6O — CID 154797556

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtrans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H24N6O/c26-19-9-16(11-24-7-6-20-14-24)8-18(19)21-10-17-13-25(23-22-17)12-15-4-2-1-3-5-15/h1-7,13-14,16,18-19,21,26H,8-12H2/t16?,18-,19-/m1/s1
InChIKeyRORBCPASYUASMY-VOBHOPKGSA-N
MW352.44 g/mol
LogP1.45
Rot. Bonds7

About Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 154797556) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound NameTrans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID154797556
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Nametrans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C19H24N6O/c26-19-9-16(11-24-7-6-20-14-24)8-18(19)21-10-17-13-25(23-22-17)12-15-4-2-1-3-5-15/h1-7,13-14,16,18-19,21,26H,8-12H2/t16?,18-,19-/m1/s1
InChIKeyRORBCPASYUASMY-VOBHOPKGSA-N
XLogP1.45
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 154797556) is trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is RORBCPASYUASMY-VOBHOPKGSA-N. The full InChI is InChI=1S/C19H24N6O/c26-19-9-16(11-24-7-6-20-14-24)8-18(19)21-10-17-13-25(23-22-17)12-15-4-2-1-3-5-15/h1-7,13-14,16,18-19,21,26H,8-12H2/t16?,18-,19-/m1/s1.
What are the key properties of Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 352.44 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 154797556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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