N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide

C26H23Cl3N4O2 — CID 58986213

IUPACN-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C26H23Cl3N4O2/c1-31(24(35)14-17-6-3-2-4-7-17)12-13-32-25-20(28)8-5-9-22(25)33(26(32)30)16-23(34)19-11-10-18(27)15-21(19)29/h2-11,15,30H,12-14,16H2,1H3/b30-26-
InChIKeyNRWYLGDIRZBTLG-BXVZCJGGSA-N
MW529.86 g/mol
LogP5.47
Rot. Bonds8

About N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide

N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide (PubChem CID 58986213) has the molecular formula C26H23Cl3N4O2 and a molecular weight of 529.86 g/mol. Its IUPAC name is N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide
PubChem CID58986213
Molecular FormulaC26H23Cl3N4O2
Molecular Weight529.86 g/mol
Exact Mass528.09
IUPAC NameN-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C26H23Cl3N4O2/c1-31(24(35)14-17-6-3-2-4-7-17)12-13-32-25-20(28)8-5-9-22(25)33(26(32)30)16-23(34)19-11-10-18(27)15-21(19)29/h2-11,15,30H,12-14,16H2,1H3/b30-26-
InChIKeyNRWYLGDIRZBTLG-BXVZCJGGSA-N
XLogP5.47
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.86
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide (CID 58986213) is N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide is [H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCN(C)C(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide?
The InChIKey is NRWYLGDIRZBTLG-BXVZCJGGSA-N. The full InChI is InChI=1S/C26H23Cl3N4O2/c1-31(24(35)14-17-6-3-2-4-7-17)12-13-32-25-20(28)8-5-9-22(25)33(26(32)30)16-23(34)19-11-10-18(27)15-21(19)29/h2-11,15,30H,12-14,16H2,1H3/b30-26-.
What are the key properties of N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide?
N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide has a molecular weight of 529.86 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 58986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).