N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

C26H32N4O2 — CID 16972651

IUPACN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCC(NC(=O)Cc1ccccc1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C26H32N4O2/c1-20(27-24(31)19-21-11-5-4-6-12-21)26-28-22-13-7-8-14-23(22)30(26)18-15-25(32)29-16-9-2-3-10-17-29/h4-8,11-14,20H,2-3,9-10,15-19H2,1H3,(H,27,31)
InChIKeyQUZCCCWZPXSLHL-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.25
Rot. Bonds7

About N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (PubChem CID 16972651) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
PubChem CID16972651
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
SMILESCC(NC(=O)Cc1ccccc1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C26H32N4O2/c1-20(27-24(31)19-21-11-5-4-6-12-21)26-28-22-13-7-8-14-23(22)30(26)18-15-25(32)29-16-9-2-3-10-17-29/h4-8,11-14,20H,2-3,9-10,15-19H2,1H3,(H,27,31)
InChIKeyQUZCCCWZPXSLHL-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968227
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973567
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide (CID 16972651) is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is CC(NC(=O)Cc1ccccc1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1.
What is the InChIKey of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
The InChIKey is QUZCCCWZPXSLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-20(27-24(31)19-21-11-5-4-6-12-21)26-28-22-13-7-8-14-23(22)30(26)18-15-25(32)29-16-9-2-3-10-17-29/h4-8,11-14,20H,2-3,9-10,15-19H2,1H3,(H,27,31).
What are the key properties of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide?
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide has a molecular weight of 432.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16972651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).