4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide

C18H14Cl2N4O3 — CID 67651985

IUPAC4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide
SMILESCC(=O)Cn1c(C(N)=O)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21
InChIInChI=1S/C18H14Cl2N4O3/c1-9(25)8-24-13-7-3-6-12(15(13)23-17(24)16(21)26)22-18(27)14-10(19)4-2-5-11(14)20/h2-7H,8H2,1H3,(H2,21,26)(H,22,27)
InChIKeyUPXGNKHZAAQJPX-UHFFFAOYSA-N
MW405.24 g/mol
LogP3.28
Rot. Bonds5

About 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide (PubChem CID 67651985) has the molecular formula C18H14Cl2N4O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide
PubChem CID67651985
Molecular FormulaC18H14Cl2N4O3
Molecular Weight405.24 g/mol
Exact Mass404.04
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide
SMILESCC(=O)Cn1c(C(N)=O)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21
InChIInChI=1S/C18H14Cl2N4O3/c1-9(25)8-24-13-7-3-6-12(15(13)23-17(24)16(21)26)22-18(27)14-10(19)4-2-5-11(14)20/h2-7H,8H2,1H3,(H2,21,26)(H,22,27)
InChIKeyUPXGNKHZAAQJPX-UHFFFAOYSA-N
XLogP3.28
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide (CID 67651985) is 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide is CC(=O)Cn1c(C(N)=O)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide?
The InChIKey is UPXGNKHZAAQJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3/c1-9(25)8-24-13-7-3-6-12(15(13)23-17(24)16(21)26)22-18(27)14-10(19)4-2-5-11(14)20/h2-7H,8H2,1H3,(H2,21,26)(H,22,27).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide has a molecular weight of 405.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 67651985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).