(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone

C17H20N4O — CID 156606440

IUPAC(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESNC1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1C1CC1
InChIInChI=1S/C17H20N4O/c18-15-10-21(9-14(15)11-4-5-11)17(22)13-3-1-2-12(8-13)16-19-6-7-20-16/h1-3,6-8,11,14-15H,4-5,9-10,18H2,(H,19,20)
InChIKeyZQUKKPWWEZPLFN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.89
Rot. Bonds3

About (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone

(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 156606440) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID156606440
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESNC1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1C1CC1
InChIInChI=1S/C17H20N4O/c18-15-10-21(9-14(15)11-4-5-11)17(22)13-3-1-2-12(8-13)16-19-6-7-20-16/h1-3,6-8,11,14-15H,4-5,9-10,18H2,(H,19,20)
InChIKeyZQUKKPWWEZPLFN-UHFFFAOYSA-N
XLogP1.89
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-1-[3-(1H-imidazol-2-yl)benzoyl]-4-propylpyrrolidin-3-yl]acetamide
CID 72849791
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72901260
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 156604295
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72932681
[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
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45218504
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 133123200
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 56744876
(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 (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone (CID 156606440) is (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone is NC1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1C1CC1.
What is the InChIKey of (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is ZQUKKPWWEZPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-15-10-21(9-14(15)11-4-5-11)17(22)13-3-1-2-12(8-13)16-19-6-7-20-16/h1-3,6-8,11,14-15H,4-5,9-10,18H2,(H,19,20).
What are the key properties of (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone?
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 296.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 156606440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).