1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one

C21H31N3O2S — CID 162532127

IUPAC1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCCSNC1(c2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C21H31N3O2S/c25-20-22-11-13-24(20)12-2-1-3-14-27-23-21(9-10-21)18-5-4-6-19(15-18)26-16-17-7-8-17/h4-6,15,17,23H,1-3,7-14,16H2,(H,22,25)
InChIKeyGLBDAIYWCSOALM-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.90
Rot. Bonds12

About 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one

1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one (PubChem CID 162532127) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one
PubChem CID162532127
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC Name1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCCSNC1(c2cccc(OCC3CC3)c2)CC1
InChIInChI=1S/C21H31N3O2S/c25-20-22-11-13-24(20)12-2-1-3-14-27-23-21(9-10-21)18-5-4-6-19(15-18)26-16-17-7-8-17/h4-6,15,17,23H,1-3,7-14,16H2,(H,22,25)
InChIKeyGLBDAIYWCSOALM-UHFFFAOYSA-N
XLogP3.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one (CID 162532127) is 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one is O=C1NCCN1CCCCCSNC1(c2cccc(OCC3CC3)c2)CC1.
What is the InChIKey of 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one?
The InChIKey is GLBDAIYWCSOALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2S/c25-20-22-11-13-24(20)12-2-1-3-14-27-23-21(9-10-21)18-5-4-6-19(15-18)26-16-17-7-8-17/h4-6,15,17,23H,1-3,7-14,16H2,(H,22,25).
What are the key properties of 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one?
1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one has a molecular weight of 389.57 g/mol, XLogP of 3.90, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidin-2-one is sourced from PubChem (CID 162532127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).