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

C22H26N4O2 — CID 17030651

IUPACN-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCCCNC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-2-3-14-23-21(27)16-26-19-12-8-7-11-18(19)25-20(26)13-15-24-22(28)17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,27)(H,24,28)
InChIKeyQZYHAVZHUVFHSP-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.93
Rot. Bonds9

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

N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030651) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030651
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCCCNC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-2-3-14-23-21(27)16-26-19-12-8-7-11-18(19)25-20(26)13-15-24-22(28)17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,27)(H,24,28)
InChIKeyQZYHAVZHUVFHSP-UHFFFAOYSA-N
XLogP2.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030905
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030679
N-[2-[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030691
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030651) is N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CCCCNC(=O)Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is QZYHAVZHUVFHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-3-14-23-21(27)16-26-19-12-8-7-11-18(19)25-20(26)13-15-24-22(28)17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).