3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide

C22H22Cl2N4O4 — CID 59711665

IUPAC3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(N2C(=O)OCC2(C)C)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H22Cl2N4O4/c1-22(2)11-32-21(30)28(22)18-7-4-12(8-14(18)24)20(29)27-17(10-31-3)19-25-15-6-5-13(23)9-16(15)26-19/h4-9,17H,10-11H2,1-3H3,(H,25,26)(H,27,29)/t17-/m0/s1
InChIKeyMGBIUSNPCWGRID-KRWDZBQOSA-N
MW477.35 g/mol
LogP4.72
Rot. Bonds6

About 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide

3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 59711665) has the molecular formula C22H22Cl2N4O4 and a molecular weight of 477.35 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID59711665
Molecular FormulaC22H22Cl2N4O4
Molecular Weight477.35 g/mol
Exact Mass476.10
IUPAC Name3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(N2C(=O)OCC2(C)C)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H22Cl2N4O4/c1-22(2)11-32-21(30)28(22)18-7-4-12(8-14(18)24)20(29)27-17(10-31-3)19-25-15-6-5-13(23)9-16(15)26-19/h4-9,17H,10-11H2,1-3H3,(H,25,26)(H,27,29)/t17-/m0/s1
InChIKeyMGBIUSNPCWGRID-KRWDZBQOSA-N
XLogP4.72
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
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N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 72787215
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CID 72758702
(3S)-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-2,3-dimethyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 70282061
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tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 67048287
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
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N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
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CID 58207372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 59711665) is 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide is COC[C@H](NC(=O)c1ccc(N2C(=O)OCC2(C)C)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is MGBIUSNPCWGRID-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22Cl2N4O4/c1-22(2)11-32-21(30)28(22)18-7-4-12(8-14(18)24)20(29)27-17(10-31-3)19-25-15-6-5-13(23)9-16(15)26-19/h4-9,17H,10-11H2,1-3H3,(H,25,26)(H,27,29)/t17-/m0/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide?
3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 477.35 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 59711665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).