[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

C19H26N4O — CID 72902499

IUPAC[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1N(C)C
InChIInChI=1S/C19H26N4O/c1-4-7-14-12-23(13-17(14)22(2)3)19(24)16-9-6-5-8-15(16)18-20-10-11-21-18/h5-6,8-11,14,17H,4,7,12-13H2,1-3H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyQJUQYZDONZOJPC-RHSMWYFYSA-N
MW326.44 g/mol
LogP2.88
Rot. Bonds5

About [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 72902499) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID72902499
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESCCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1N(C)C
InChIInChI=1S/C19H26N4O/c1-4-7-14-12-23(13-17(14)22(2)3)19(24)16-9-6-5-8-15(16)18-20-10-11-21-18/h5-6,8-11,14,17H,4,7,12-13H2,1-3H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyQJUQYZDONZOJPC-RHSMWYFYSA-N
XLogP2.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (CID 72902499) is [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is QJUQYZDONZOJPC-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-7-14-12-23(13-17(14)22(2)3)19(24)16-9-6-5-8-15(16)18-20-10-11-21-18/h5-6,8-11,14,17H,4,7,12-13H2,1-3H3,(H,20,21)/t14-,17-/m1/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 326.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 72902499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).