N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide

C26H34N4O2 — CID 16984990

IUPACN-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H34N4O2/c1-3-17-29(18-4-2)26(32)20-30-23-14-9-8-13-22(23)28-24(30)15-10-16-27-25(31)19-21-11-6-5-7-12-21/h5-9,11-14H,3-4,10,15-20H2,1-2H3,(H,27,31)
InChIKeyCSISKBOJYHRBJO-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.98
Rot. Bonds12

About N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide

N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide (PubChem CID 16984990) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
PubChem CID16984990
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H34N4O2/c1-3-17-29(18-4-2)26(32)20-30-23-14-9-8-13-22(23)28-24(30)15-10-16-27-25(31)19-21-11-6-5-7-12-21/h5-9,11-14H,3-4,10,15-20H2,1-2H3,(H,27,31)
InChIKeyCSISKBOJYHRBJO-UHFFFAOYSA-N
XLogP3.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16986343
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981080
2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993774
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985636
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985986
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985985
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994908
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
The IUPAC name of N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide (CID 16984990) is N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide is CCCN(CCC)C(=O)Cn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
The InChIKey is CSISKBOJYHRBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-3-17-29(18-4-2)26(32)20-30-23-14-9-8-13-22(23)28-24(30)15-10-16-27-25(31)19-21-11-6-5-7-12-21/h5-9,11-14H,3-4,10,15-20H2,1-2H3,(H,27,31).
What are the key properties of N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide?
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide has a molecular weight of 434.58 g/mol, XLogP of 3.98, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 16984990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).