N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide

C22H23BrN4O4 — CID 59711666

IUPACN-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(N2CCOCC2=O)c(C)c1)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C22H23BrN4O4/c1-13-9-14(3-6-19(13)27-7-8-31-12-20(27)28)22(29)26-18(11-30-2)21-24-16-5-4-15(23)10-17(16)25-21/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,24,25)(H,26,29)/t18-/m0/s1
InChIKeyLQSRLMWYHFZBNZ-SFHVURJKSA-N
MW487.35 g/mol
LogP3.11
Rot. Bonds6

About N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide

N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide (PubChem CID 59711666) has the molecular formula C22H23BrN4O4 and a molecular weight of 487.35 g/mol. Its IUPAC name is N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
PubChem CID59711666
Molecular FormulaC22H23BrN4O4
Molecular Weight487.35 g/mol
Exact Mass486.09
IUPAC NameN-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(N2CCOCC2=O)c(C)c1)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C22H23BrN4O4/c1-13-9-14(3-6-19(13)27-7-8-31-12-20(27)28)22(29)26-18(11-30-2)21-24-16-5-4-15(23)10-17(16)25-21/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,24,25)(H,26,29)/t18-/m0/s1
InChIKeyLQSRLMWYHFZBNZ-SFHVURJKSA-N
XLogP3.11
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 72822095
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methylsulfanylethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 11294095
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)benzamide
CID 72758702
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2H-tetrazol-5-yloxy)ethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 58207372
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 72787215
N-[1-(6-bromo-1H-benzimidazol-2-yl)-2-hydroxyethyl]-3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)benzamide
CID 72831283
N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 11178778
3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide
CID 11363513
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 70280194
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(1,4-dihydroxy-5-oxoazepan-4-yl)-3-methylbenzamide
CID 67049432
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
3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 11375402

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide (CID 59711666) is N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide is COC[C@H](NC(=O)c1ccc(N2CCOCC2=O)c(C)c1)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?
The InChIKey is LQSRLMWYHFZBNZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23BrN4O4/c1-13-9-14(3-6-19(13)27-7-8-31-12-20(27)28)22(29)26-18(11-30-2)21-24-16-5-4-15(23)10-17(16)25-21/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,24,25)(H,26,29)/t18-/m0/s1.
What are the key properties of N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?
N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide has a molecular weight of 487.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide is sourced from PubChem (CID 59711666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).