3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide

C23H24Cl2N4O3 — CID 11363513

IUPAC3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(N2CCCCCC2=O)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H24Cl2N4O3/c1-32-13-19(22-26-17-8-7-15(24)12-18(17)27-22)28-23(31)14-6-9-20(16(25)11-14)29-10-4-2-3-5-21(29)30/h6-9,11-12,19H,2-5,10,13H2,1H3,(H,26,27)(H,28,31)/t19-/m0/s1
InChIKeyHAQWQLMVTPVNLA-IBGZPJMESA-N
MW475.38 g/mol
LogP4.89
Rot. Bonds6

About 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide

3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide (PubChem CID 11363513) has the molecular formula C23H24Cl2N4O3 and a molecular weight of 475.38 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide
PubChem CID11363513
Molecular FormulaC23H24Cl2N4O3
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(N2CCCCCC2=O)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H24Cl2N4O3/c1-32-13-19(22-26-17-8-7-15(24)12-18(17)27-22)28-23(31)14-6-9-20(16(25)11-14)29-10-4-2-3-5-21(29)30/h6-9,11-12,19H,2-5,10,13H2,1H3,(H,26,27)(H,28,31)/t19-/m0/s1
InChIKeyHAQWQLMVTPVNLA-IBGZPJMESA-N
XLogP4.89
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(1,1-dioxothiazinan-2-yl)benzamide
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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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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
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)benzamide
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CID 70282061
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(1,4-dihydroxy-5-oxoazepan-4-yl)-3-methylbenzamide
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N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(fluoromethoxy)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide
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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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N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2H-tetrazol-5-yloxy)ethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
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N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methylsulfanylethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
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3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(oxazinan-2-yl)benzamide
CID 59711671

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide (CID 11363513) is 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide is COC[C@H](NC(=O)c1ccc(N2CCCCCC2=O)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-(2-oxoazepan-1-yl)benzamide?
The InChIKey is HAQWQLMVTPVNLA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24Cl2N4O3/c1-32-13-19(22-26-17-8-7-15(24)12-18(17)27-22)28-23(31)14-6-9-20(16(25)11-14)29-10-4-2-3-5-21(29)30/h6-9,11-12,19H,2-5,10,13H2,1H3,(H,26,27)(H,28,31)/t19-/m0/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide?
3-chloro-N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(2-oxoazepan-1-yl)benzamide has a molecular weight of 475.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-oxoazepan-1-yl)benzamide is sourced from PubChem (CID 11363513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).