N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide

C24H21ClN4O2 — CID 17030906

IUPACN-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C24H21ClN4O2/c25-18-12-10-17(11-13-18)24(31)26-15-14-22-28-20-8-4-5-9-21(20)29(22)16-23(30)27-19-6-2-1-3-7-19/h1-13H,14-16H2,(H,26,31)(H,27,30)
InChIKeyZSVLSYPOSSLEMS-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.30
Rot. Bonds7

About N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide

N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide (PubChem CID 17030906) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
PubChem CID17030906
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
SMILESO=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1
InChIInChI=1S/C24H21ClN4O2/c25-18-12-10-17(11-13-18)24(31)26-15-14-22-28-20-8-4-5-9-21(20)29(22)16-23(30)27-19-6-2-1-3-7-19/h1-13H,14-16H2,(H,26,31)(H,27,30)
InChIKeyZSVLSYPOSSLEMS-UHFFFAOYSA-N
XLogP4.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-4-chlorobenzamide
CID 17031656
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030933
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030679
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-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461
N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031599
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751332
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide (CID 17030906) is N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide is O=C(Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1.
What is the InChIKey of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
The InChIKey is ZSVLSYPOSSLEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-18-12-10-17(11-13-18)24(31)26-15-14-22-28-20-8-4-5-9-21(20)29(22)16-23(30)27-19-6-2-1-3-7-19/h1-13H,14-16H2,(H,26,31)(H,27,30).
What are the key properties of N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide has a molecular weight of 432.91 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide is sourced from PubChem (CID 17030906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).