2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride

C15H20ClN3O — CID 173113910

IUPAC2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1C=CN(c2ccccc2)C1)N1CCCC1
InChIInChI=1S/C15H19N3O.ClH/c19-15(17-8-4-5-9-17)12-16-10-11-18(13-16)14-6-2-1-3-7-14;/h1-3,6-7,10-11H,4-5,8-9,12-13H2;1H
InChIKeyRHOKLNPGHYYUNU-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.28
Rot. Bonds3

About 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride

2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride (PubChem CID 173113910) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
PubChem CID173113910
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1C=CN(c2ccccc2)C1)N1CCCC1
InChIInChI=1S/C15H19N3O.ClH/c19-15(17-8-4-5-9-17)12-16-10-11-18(13-16)14-6-2-1-3-7-14;/h1-3,6-7,10-11H,4-5,8-9,12-13H2;1H
InChIKeyRHOKLNPGHYYUNU-UHFFFAOYSA-N
XLogP2.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 22220796
2-(3-methyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 21079140
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 120762004
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3443375
2-amino-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120594918
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120596462

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride (CID 173113910) is 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride is Cl.O=C(CN1C=CN(c2ccccc2)C1)N1CCCC1.
What is the InChIKey of 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
The InChIKey is RHOKLNPGHYYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c19-15(17-8-4-5-9-17)12-16-10-11-18(13-16)14-6-2-1-3-7-14;/h1-3,6-7,10-11H,4-5,8-9,12-13H2;1H.
What are the key properties of 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride?
2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2H-imidazol-1-yl)-1-pyrrolidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 173113910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).