1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride

C16H22Cl2N4O2 — CID 119542484

IUPAC1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1.Cl
InChIInChI=1S/C16H21ClN4O2.ClH/c1-18-9-11-4-6-20(10-11)15(22)13-8-12(2-3-14(13)17)21-7-5-19-16(21)23;/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,23);1H
InChIKeyQBTRJXPEFGQXPL-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.97
Rot. Bonds4

About 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride

1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (PubChem CID 119542484) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
PubChem CID119542484
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Name1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1.Cl
InChIInChI=1S/C16H21ClN4O2.ClH/c1-18-9-11-4-6-20(10-11)15(22)13-8-12(2-3-14(13)17)21-7-5-19-16(21)23;/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,23);1H
InChIKeyQBTRJXPEFGQXPL-UHFFFAOYSA-N
XLogP1.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
CID 119487350
1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119493962
1-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]imidazolidin-2-one
CID 119381905
(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613032
(2,4-dichloro-5-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538592
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541051
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120744003
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-chloro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263315
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538641

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (CID 119542484) is 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is CNCC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1.Cl.
What is the InChIKey of 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is QBTRJXPEFGQXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2.ClH/c1-18-9-11-4-6-20(10-11)15(22)13-8-12(2-3-14(13)17)21-7-5-19-16(21)23;/h2-3,8,11,18H,4-7,9-10H2,1H3,(H,19,23);1H.
What are the key properties of 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 373.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 119542484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).