N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide

C19H24N4O2 — CID 72849791

IUPACN-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H]1NC(C)=O
InChIInChI=1S/C19H24N4O2/c1-3-5-16-11-23(12-17(16)22-13(2)24)19(25)15-7-4-6-14(10-15)18-20-8-9-21-18/h4,6-10,16-17H,3,5,11-12H2,1-2H3,(H,20,21)(H,22,24)/t16-,17-/m1/s1
InChIKeyKKVMBVWCEWRPNZ-IAGOWNOFSA-N
MW340.43 g/mol
LogP2.45
Rot. Bonds5

About N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72849791) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72849791
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H]1NC(C)=O
InChIInChI=1S/C19H24N4O2/c1-3-5-16-11-23(12-17(16)22-13(2)24)19(25)15-7-4-6-14(10-15)18-20-8-9-21-18/h4,6-10,16-17H,3,5,11-12H2,1-2H3,(H,20,21)(H,22,24)/t16-,17-/m1/s1
InChIKeyKKVMBVWCEWRPNZ-IAGOWNOFSA-N
XLogP2.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440
2-ethyl-8-[3-(1H-imidazol-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72928212
[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95555128
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
N-[(3S,4R)-1-(2H-benzotriazole-5-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70774223
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
(1R,2R,4S)-2-ethyl-7-[3-(1H-imidazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146042083
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 56744876
N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide
CID 72938382
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45218504
(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95189352

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide (CID 72849791) is N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is KKVMBVWCEWRPNZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-5-16-11-23(12-17(16)22-13(2)24)19(25)15-7-4-6-14(10-15)18-20-8-9-21-18/h4,6-10,16-17H,3,5,11-12H2,1-2H3,(H,20,21)(H,22,24)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72849791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).