1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one

C12H24N4O2 — CID 63309606

IUPAC1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCCN(CCO)CC1
InChIInChI=1S/C12H24N4O2/c17-11-10-15-4-1-3-14(6-7-15)8-9-16-5-2-13-12(16)18/h17H,1-11H2,(H,13,18)
InChIKeyGZYSZDFAKYUURT-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.99
Rot. Bonds5

About 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one (PubChem CID 63309606) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one
PubChem CID63309606
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCCN(CCO)CC1
InChIInChI=1S/C12H24N4O2/c17-11-10-15-4-1-3-14(6-7-15)8-9-16-5-2-13-12(16)18/h17H,1-11H2,(H,13,18)
InChIKeyGZYSZDFAKYUURT-UHFFFAOYSA-N
XLogP-0.99
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one (CID 63309606) is 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCCN(CCO)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is GZYSZDFAKYUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c17-11-10-15-4-1-3-14(6-7-15)8-9-16-5-2-13-12(16)18/h17H,1-11H2,(H,13,18).
What are the key properties of 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 256.35 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 63309606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).