N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C23H19ClN4O2 — CID 17029321

IUPACN-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O2/c24-17-10-12-18(13-11-17)26-22(29)15-28-20-9-5-4-8-19(20)27-21(28)14-25-23(30)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,30)(H,26,29)
InChIKeyCVPULALJJURBSE-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.26
Rot. Bonds6

About N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17029321) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17029321
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O2/c24-17-10-12-18(13-11-17)26-22(29)15-28-20-9-5-4-8-19(20)27-21(28)14-25-23(30)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,30)(H,26,29)
InChIKeyCVPULALJJURBSE-UHFFFAOYSA-N
XLogP4.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029564
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[3-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-chlorobenzamide
CID 17031656
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029542

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17029321) is N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is CVPULALJJURBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c24-17-10-12-18(13-11-17)26-22(29)15-28-20-9-5-4-8-19(20)27-21(28)14-25-23(30)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,30)(H,26,29).
What are the key properties of N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17029321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).