N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C23H26N4O2 — CID 17006753

IUPACN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c28-22(26-14-8-1-2-9-15-26)17-27-20-13-7-6-12-19(20)25-21(27)16-24-23(29)18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2,(H,24,29)
InChIKeyHOXPYNZXGNZYNN-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.37
Rot. Bonds5

About N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17006753) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17006753
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c28-22(26-14-8-1-2-9-15-26)17-27-20-13-7-6-12-19(20)25-21(27)16-24-23(29)18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2,(H,24,29)
InChIKeyHOXPYNZXGNZYNN-UHFFFAOYSA-N
XLogP3.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
CID 17007549
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966639
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973964
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975852
3-bromo-N-[2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977876
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
3-methyl-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007392
3-bromo-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977875

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17006753) is N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1CC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is HOXPYNZXGNZYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(26-14-8-1-2-9-15-26)17-27-20-13-7-6-12-19(20)25-21(27)16-24-23(29)18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2,(H,24,29).
What are the key properties of N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17006753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).