N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

C23H25ClN4O2 — CID 17029167

IUPACN-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C23H25ClN4O2/c24-17-9-6-10-18(13-17)26-22(29)15-28-20-12-5-4-11-19(20)27-21(28)14-25-23(30)16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8,14-15H2,(H,25,30)(H,26,29)
InChIKeyODUDYTDSPODZDT-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.52
Rot. Bonds6

About N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 17029167) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
PubChem CID17029167
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C23H25ClN4O2/c24-17-9-6-10-18(13-17)26-22(29)15-28-20-12-5-4-11-19(20)27-21(28)14-25-23(30)16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8,14-15H2,(H,25,30)(H,26,29)
InChIKeyODUDYTDSPODZDT-UHFFFAOYSA-N
XLogP4.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029186
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
N-[3-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031356
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029360
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029148
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029158
2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031501
4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030913
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031362
N-[3-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 17031374

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 17029167) is N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is O=C(Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21)Nc1cccc(Cl)c1.
What is the InChIKey of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is ODUDYTDSPODZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-17-9-6-10-18(13-17)26-22(29)15-28-20-12-5-4-11-19(20)27-21(28)14-25-23(30)16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8,14-15H2,(H,25,30)(H,26,29).
What are the key properties of N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 17029167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).