(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one

C17H15N3O2 — CID 67036290

IUPAC(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2c2ccccc2)cc2[nH]cnc12
InChIInChI=1S/C17H15N3O2/c1-11-7-13(8-14-16(11)19-10-18-14)20-15(9-22-17(20)21)12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyUNIGZWBFVWNWKZ-OAHLLOKOSA-N
MW293.33 g/mol
LogP3.57
Rot. Bonds2

About (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 67036290) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID67036290
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2c2ccccc2)cc2[nH]cnc12
InChIInChI=1S/C17H15N3O2/c1-11-7-13(8-14-16(11)19-10-18-14)20-15(9-22-17(20)21)12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyUNIGZWBFVWNWKZ-OAHLLOKOSA-N
XLogP3.57
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 50939051
(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 58229052
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
(4S)-3-imidazo[1,2-a]pyridin-7-yl-4-phenyl-1,3-oxazolidin-2-one
CID 51030219
3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 58229114
3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 67036307
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 90436321
3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 118692958
3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one
CID 67117327
2-ethyl-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid
CID 67380938
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one (CID 67036290) is (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OC[C@@H]2c2ccccc2)cc2[nH]cnc12.
What is the InChIKey of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UNIGZWBFVWNWKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-7-13(8-14-16(11)19-10-18-14)20-15(9-22-17(20)21)12-5-3-2-4-6-12/h2-8,10,15H,9H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 293.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67036290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).