N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide

C17H27N5O2 — CID 110119116

IUPACN-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCN1CCC(c2ncc(CNC(=O)CN3CCCCCC3=O)[nH]2)C1
InChIInChI=1S/C17H27N5O2/c1-21-8-6-13(11-21)17-19-10-14(20-17)9-18-15(23)12-22-7-4-2-3-5-16(22)24/h10,13H,2-9,11-12H2,1H3,(H,18,23)(H,19,20)
InChIKeyISXJMZHNPDKRBR-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.85
Rot. Bonds5

About N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide

N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 110119116) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID110119116
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCN1CCC(c2ncc(CNC(=O)CN3CCCCCC3=O)[nH]2)C1
InChIInChI=1S/C17H27N5O2/c1-21-8-6-13(11-21)17-19-10-14(20-17)9-18-15(23)12-22-7-4-2-3-5-16(22)24/h10,13H,2-9,11-12H2,1H3,(H,18,23)(H,19,20)
InChIKeyISXJMZHNPDKRBR-UHFFFAOYSA-N
XLogP0.85
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 110119318
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131942207
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 62038805
2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide
CID 140910040
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
CID 136662091
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 110119116) is N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide is CN1CCC(c2ncc(CNC(=O)CN3CCCCCC3=O)[nH]2)C1.
What is the InChIKey of N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is ISXJMZHNPDKRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-21-8-6-13(11-21)17-19-10-14(20-17)9-18-15(23)12-22-7-4-2-3-5-16(22)24/h10,13H,2-9,11-12H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 110119116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).