N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C26H26N4O2 — CID 17030679

IUPACN-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCc1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N4O2/c1-2-19-12-14-21(15-13-19)28-25(31)18-30-23-11-7-6-10-22(23)29-24(30)16-17-27-26(32)20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,27,32)(H,28,31)
InChIKeyRWHQBYPERHQRGI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.21
Rot. Bonds8

About N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030679) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030679
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCc1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N4O2/c1-2-19-12-14-21(15-13-19)28-25(31)18-30-23-11-7-6-10-22(23)29-24(30)16-17-27-26(32)20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,27,32)(H,28,31)
InChIKeyRWHQBYPERHQRGI-UHFFFAOYSA-N
XLogP4.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028982
N-[2-[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030691
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
N-[2-[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030725
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
4-chloro-N-[2-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030913
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031611
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030679) is N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CCc1ccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is RWHQBYPERHQRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-2-19-12-14-21(15-13-19)28-25(31)18-30-23-11-7-6-10-22(23)29-24(30)16-17-27-26(32)20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).