N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide

C19H26N4O — CID 56708411

IUPACN-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC1CCN(Cc2ncc[nH]2)C1)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-19(2,16-6-4-3-5-7-16)18(24)22-12-15-8-11-23(13-15)14-17-20-9-10-21-17/h3-7,9-10,15H,8,11-14H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyYQRQUDKNEYMFOI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.33
Rot. Bonds6

About N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide

N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide (PubChem CID 56708411) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
PubChem CID56708411
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC1CCN(Cc2ncc[nH]2)C1)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-19(2,16-6-4-3-5-7-16)18(24)22-12-15-8-11-23(13-15)14-17-20-9-10-21-17/h3-7,9-10,15H,8,11-14H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyYQRQUDKNEYMFOI-UHFFFAOYSA-N
XLogP2.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide (CID 56708411) is N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCC1CCN(Cc2ncc[nH]2)C1)c1ccccc1.
What is the InChIKey of N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
The InChIKey is YQRQUDKNEYMFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-19(2,16-6-4-3-5-7-16)18(24)22-12-15-8-11-23(13-15)14-17-20-9-10-21-17/h3-7,9-10,15H,8,11-14H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 56708411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).