(4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one

C20H22N4O3 — CID 58229049

IUPAC(4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)CCOc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O3/c1-23(2)9-10-26-16-6-3-14(4-7-16)19-12-27-20(25)24(19)15-5-8-17-18(11-15)22-13-21-17/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyULTZAPHRZBZYHB-LJQANCHMSA-N
MW366.42 g/mol
LogP3.20
Rot. Bonds6

About (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one

(4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 58229049) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID58229049
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)CCOc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O3/c1-23(2)9-10-26-16-6-3-14(4-7-16)19-12-27-20(25)24(19)15-5-8-17-18(11-15)22-13-21-17/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyULTZAPHRZBZYHB-LJQANCHMSA-N
XLogP3.20
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one (CID 58229049) is (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one is CN(C)CCOc1ccc([C@H]2COC(=O)N2c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ULTZAPHRZBZYHB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-23(2)9-10-26-16-6-3-14(4-7-16)19-12-27-20(25)24(19)15-5-8-17-18(11-15)22-13-21-17/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one?
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3H-benzimidazol-5-yl)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).