1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one

C18H17F2N3O2 — CID 118415358

IUPAC1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one
SMILESO=C1NCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1
InChIKeyMUVYYQQLOKRDQS-ZDUSSCGKSA-N
MW345.35 g/mol
LogP2.46
Rot. Bonds4

About 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one

1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one (PubChem CID 118415358) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one
PubChem CID118415358
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one
SMILESO=C1NCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1
InChIKeyMUVYYQQLOKRDQS-ZDUSSCGKSA-N
XLogP2.46
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one (CID 118415358) is 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one is O=C1NCCN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one?
The InChIKey is MUVYYQQLOKRDQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1.
What are the key properties of 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one?
1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one has a molecular weight of 345.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(3,6-difluorocarbazol-9-yl)-2-hydroxypropyl]imidazolidin-2-one is sourced from PubChem (CID 118415358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).