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Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C20H30N4O — CID 146112572

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

IUPACtrans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESCN(C)CCc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
InChIInChI=1S/C20H30N4O/c1-23(2)9-7-16-3-5-17(6-4-16)13-22-19-11-18(12-20(19)25)14-24-10-8-21-15-24/h3-6,8,10,15,18-20,22,25H,7,9,11-14H2,1-2H3/t18?,19-,20-/m1/s1
InChIKeyCNZOAJUZIYIQCP-FXJNCMGBSA-N
MW342.49 g/mol
LogP1.92
Rot. Bonds8

About Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 146112572) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound NameTrans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID146112572
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Nametrans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESCN(C)CCc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1
InChIInChI=1S/C20H30N4O/c1-23(2)9-7-16-3-5-17(6-4-16)13-22-19-11-18(12-20(19)25)14-24-10-8-21-15-24/h3-6,8,10,15,18-20,22,25H,7,9,11-14H2,1-2H3/t18?,19-,20-/m1/s1
InChIKeyCNZOAJUZIYIQCP-FXJNCMGBSA-N
XLogP1.92
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 146112572) is trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is CN(C)CCc1ccc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cc1.
What is the InChIKey of Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is CNZOAJUZIYIQCP-FXJNCMGBSA-N. The full InChI is InChI=1S/C20H30N4O/c1-23(2)9-7-16-3-5-17(6-4-16)13-22-19-11-18(12-20(19)25)14-24-10-8-21-15-24/h3-6,8,10,15,18-20,22,25H,7,9,11-14H2,1-2H3/t18?,19-,20-/m1/s1.
What are the key properties of Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 342.49 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Trans-(1R,2R)-2-[[4-[2-(dimethylamino)ethyl]phenyl]methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 146112572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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