1H-imidazol-5-yl(pyrrolidin-2-yl)methanone

C8H11N3O — CID 84731572

IUPAC1H-imidazol-5-yl(pyrrolidin-2-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCCN1
InChIInChI=1S/C8H11N3O/c12-8(6-2-1-3-10-6)7-4-9-5-11-7/h4-6,10H,1-3H2,(H,9,11)
InChIKeyZICNNBAJIDEUQT-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.34
Rot. Bonds2

About 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone

1H-imidazol-5-yl(pyrrolidin-2-yl)methanone (PubChem CID 84731572) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl(pyrrolidin-2-yl)methanone
PubChem CID84731572
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1H-imidazol-5-yl(pyrrolidin-2-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCCN1
InChIInChI=1S/C8H11N3O/c12-8(6-2-1-3-10-6)7-4-9-5-11-7/h4-6,10H,1-3H2,(H,9,11)
InChIKeyZICNNBAJIDEUQT-UHFFFAOYSA-N
XLogP0.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-5-yl(piperidin-2-yl)methanone
CID 84732201
[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 140972419
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 106607277
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2R)-pyrrolidine-2-carboxylate
CID 88805910
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
(2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 122581370
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
(2S)-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 91975220
(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
CID 130603335
(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
CID 83484821

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone?
The IUPAC name of 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone (CID 84731572) is 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone.
What is the SMILES notation for 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone?
The canonical SMILES for 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone is O=C(c1cnc[nH]1)C1CCCN1.
What is the InChIKey of 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone?
The InChIKey is ZICNNBAJIDEUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8(6-2-1-3-10-6)7-4-9-5-11-7/h4-6,10H,1-3H2,(H,9,11).
What are the key properties of 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone?
1H-imidazol-5-yl(pyrrolidin-2-yl)methanone has a molecular weight of 165.20 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl(pyrrolidin-2-yl)methanone is sourced from PubChem (CID 84731572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).