1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one

C15H22ClN3O2 — CID 43278045

IUPAC1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
SMILESCC(C)NCc1cc(Cl)ccc1OCCN1CCNC1=O
InChIInChI=1S/C15H22ClN3O2/c1-11(2)18-10-12-9-13(16)3-4-14(12)21-8-7-19-6-5-17-15(19)20/h3-4,9,11,18H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyQJCNSGBBTWZZEM-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.24
Rot. Bonds7

About 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one

1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one (PubChem CID 43278045) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
PubChem CID43278045
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
SMILESCC(C)NCc1cc(Cl)ccc1OCCN1CCNC1=O
InChIInChI=1S/C15H22ClN3O2/c1-11(2)18-10-12-9-13(16)3-4-14(12)21-8-7-19-6-5-17-15(19)20/h3-4,9,11,18H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyQJCNSGBBTWZZEM-UHFFFAOYSA-N
XLogP2.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
1-[2-[2-(ethylaminomethyl)-4-fluorophenoxy]ethyl]imidazolidin-2-one
CID 107695464
1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43277658
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131
N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722012
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28981461
1-[2-[2-methoxy-4-(methylaminomethyl)phenoxy]ethyl]imidazolidin-2-one
CID 43278574
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
1-[2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]ethyl]imidazolidin-2-one
CID 63066571

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one (CID 43278045) is 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one is CC(C)NCc1cc(Cl)ccc1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
The InChIKey is QJCNSGBBTWZZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11(2)18-10-12-9-13(16)3-4-14(12)21-8-7-19-6-5-17-15(19)20/h3-4,9,11,18H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one has a molecular weight of 311.81 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 43278045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).