2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide

C10H14IN3O — CID 126658019

IUPAC2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide
SMILESCCc1ncc(C2CCCN2C(=O)I)[nH]1
InChIInChI=1S/C10H14IN3O/c1-2-9-12-6-7(13-9)8-4-3-5-14(8)10(11)15/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyUGBCGKCJTFVBFY-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide

2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide (PubChem CID 126658019) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide.

Molecular Properties

Compound Name2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide
PubChem CID126658019
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide
SMILESCCc1ncc(C2CCCN2C(=O)I)[nH]1
InChIInChI=1S/C10H14IN3O/c1-2-9-12-6-7(13-9)8-4-3-5-14(8)10(11)15/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyUGBCGKCJTFVBFY-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-1H-imidazol-5-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111781389
butyl 2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 67151235
(2S)-2-amino-1-[(2S)-2-(5-iodo-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 141310537
tert-butyl 2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 58501743
5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine
CID 123292671
[(2S)-1-[(2S)-2-[2-(4-bromophenyl)-1H-imidazol-5-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 70664170
1-(2-acetamidoacetyl)-N-propan-2-ylpyrrolidine-2-carboxamide;N-[2-[2-(2-tert-butyl-1H-imidazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide;N-[2-[2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 158449922
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
CID 114082404
2-amino-3-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propanoic acid
CID 116881783
(2S)-2-amino-1-[2-[5-[4-[4-[2-[1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 25229825
(2S)-3-methyl-2-(methylamino)-1-[2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]pentan-1-one
CID 67147145

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide?
The IUPAC name of 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide (CID 126658019) is 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide.
What is the SMILES notation for 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide?
The canonical SMILES for 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide is CCc1ncc(C2CCCN2C(=O)I)[nH]1.
What is the InChIKey of 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide?
The InChIKey is UGBCGKCJTFVBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-2-9-12-6-7(13-9)8-4-3-5-14(8)10(11)15/h6,8H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide?
2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide has a molecular weight of 319.15 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1H-imidazol-5-yl)pyrrolidine-1-carbonyl iodide is sourced from PubChem (CID 126658019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).