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

C24H28N4O2 — CID 16967444

IUPACN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CCCCCC1
InChIInChI=1S/C24H28N4O2/c1-18(25-24(30)19-11-5-4-6-12-19)23-26-20-13-7-8-14-21(20)28(23)17-22(29)27-15-9-2-3-10-16-27/h4-8,11-14,18H,2-3,9-10,15-17H2,1H3,(H,25,30)
InChIKeyGBGKLCVLPVKJDO-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.93
Rot. Bonds5

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

N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967444) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967444
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CCCCCC1
InChIInChI=1S/C24H28N4O2/c1-18(25-24(30)19-11-5-4-6-12-19)23-26-20-13-7-8-14-21(20)28(23)17-22(29)27-15-9-2-3-10-16-27/h4-8,11-14,18H,2-3,9-10,15-17H2,1H3,(H,25,30)
InChIKeyGBGKLCVLPVKJDO-UHFFFAOYSA-N
XLogP3.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009912
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[(1S)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184002
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 2985948
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968227

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16967444) is N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N1CCCCCC1.
What is the InChIKey of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is GBGKLCVLPVKJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18(25-24(30)19-11-5-4-6-12-19)23-26-20-13-7-8-14-21(20)28(23)17-22(29)27-15-9-2-3-10-16-27/h4-8,11-14,18H,2-3,9-10,15-17H2,1H3,(H,25,30).
What are the key properties of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).