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

C20H28N4O2 — CID 16968227

IUPACN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C20H28N4O2/c1-15(21-16(2)25)20-22-17-9-5-6-10-18(17)24(20)14-11-19(26)23-12-7-3-4-8-13-23/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,21,25)
InChIKeyJQNZDVGMCICHCD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.03
Rot. Bonds5

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

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16968227) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16968227
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C20H28N4O2/c1-15(21-16(2)25)20-22-17-9-5-6-10-18(17)24(20)14-11-19(26)23-12-7-3-4-8-13-23/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,21,25)
InChIKeyJQNZDVGMCICHCD-UHFFFAOYSA-N
XLogP3.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.03
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]-2-phenylacetamide
CID 16972651
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
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969925
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
2-[2-[(1R)-1-acetamidoethyl]benzimidazol-1-yl]-N-cyclopentylacetamide
CID 39730168
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009912

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide (CID 16968227) is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)NC(C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1.
What is the InChIKey of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is JQNZDVGMCICHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(21-16(2)25)20-22-17-9-5-6-10-18(17)24(20)14-11-19(26)23-12-7-3-4-8-13-23/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide?
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.03, 5 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]acetamide is sourced from PubChem (CID 16968227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).