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

C19H24N6O — CID 154797556

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 Name: trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
• PubChem CID: 154797556
• Molecular Formula: C19H24N6O
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.20
• IUPAC Name: trans-(1R,2R)-2-[(1-benzyltriazol-4-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
• SMILES: O[C@@H]1CC(Cn2ccnc2)C[C@H]1NCc1cn(Cc2ccccc2)nn1
• InChI: 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
• InChIKey: RORBCPASYUASMY-VOBHOPKGSA-N
• XLogP: 1.45
• TPSA: 80.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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).