1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride

C11H19ClN4O — CID 120704922

IUPAC1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCCC1Cn1ccnc1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-12-7-11(16)15-5-2-3-10(15)8-14-6-4-13-9-14;/h4,6,9-10,12H,2-3,5,7-8H2,1H3;1H
InChIKeyWJKIOJWBWASSCX-UHFFFAOYSA-N
MW258.75 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 120704922) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID120704922
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCCC1Cn1ccnc1.Cl
InChIInChI=1S/C11H18N4O.ClH/c1-12-7-11(16)15-5-2-3-10(15)8-14-6-4-13-9-14;/h4,6,9-10,12H,2-3,5,7-8H2,1H3;1H
InChIKeyWJKIOJWBWASSCX-UHFFFAOYSA-N
XLogP0.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484917
1-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 124609916
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124570295
2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
CID 91650901
(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 124615062
(2S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124609789
(2S)-2-imidazol-1-yl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95354634
[2-fluoro-4-(4-methylphenyl)phenyl]-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 166247413
2-[1-[2-(methylamino)acetyl]piperidin-2-yl]acetamide;hydrochloride
CID 119756579
methyl 2-[6-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carbonyl]amino]-2-pyridinyl]acetate
CID 124622664
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124619820
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 124509626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 120704922) is 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCCC1Cn1ccnc1.Cl.
What is the InChIKey of 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is WJKIOJWBWASSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.ClH/c1-12-7-11(16)15-5-2-3-10(15)8-14-6-4-13-9-14;/h4,6,9-10,12H,2-3,5,7-8H2,1H3;1H.
What are the key properties of 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120704922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).