2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

C18H25N3O2 — CID 139007416

IUPAC2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(C)n1c(CNC(=O)CC2CCCOC2)nc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13(2)21-16-8-4-3-7-15(16)20-17(21)11-19-18(22)10-14-6-5-9-23-12-14/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,22)
InChIKeyLAIIAAGIOGITJY-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.05
Rot. Bonds5

About 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 139007416) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
PubChem CID139007416
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(C)n1c(CNC(=O)CC2CCCOC2)nc2ccccc21
InChIInChI=1S/C18H25N3O2/c1-13(2)21-16-8-4-3-7-15(16)20-17(21)11-19-18(22)10-14-6-5-9-23-12-14/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,22)
InChIKeyLAIIAAGIOGITJY-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]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

2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77094843
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 99979307
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75356814
3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 119068190
2-(oxan-3-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 118792118

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (CID 139007416) is 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is CC(C)n1c(CNC(=O)CC2CCCOC2)nc2ccccc21.
What is the InChIKey of 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is LAIIAAGIOGITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)21-16-8-4-3-7-15(16)20-17(21)11-19-18(22)10-14-6-5-9-23-12-14/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 139007416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).