[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone

C14H15N3O2 — CID 111561042

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2ccnc2)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C14H15N3O2/c18-13-4-6-16(9-13)14(19)11-2-1-3-12(8-11)17-7-5-15-10-17/h1-3,5,7-8,10,13,18H,4,6,9H2/t13-/m1/s1
InChIKeyFLLNTFVBBFJQTN-CYBMUJFWSA-N
MW257.29 g/mol
LogP1.08
Rot. Bonds2

About [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone (PubChem CID 111561042) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
PubChem CID111561042
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2ccnc2)c1)N1CC[C@@H](O)C1
InChIInChI=1S/C14H15N3O2/c18-13-4-6-16(9-13)14(19)11-2-1-3-12(8-11)17-7-5-15-10-17/h1-3,5,7-8,10,13,18H,4,6,9H2/t13-/m1/s1
InChIKeyFLLNTFVBBFJQTN-CYBMUJFWSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 164591408
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone (CID 111561042) is [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone is O=C(c1cccc(-n2ccnc2)c1)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
The InChIKey is FLLNTFVBBFJQTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-4-6-16(9-13)14(19)11-2-1-3-12(8-11)17-7-5-15-10-17/h1-3,5,7-8,10,13,18H,4,6,9H2/t13-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 111561042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).