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

C19H26N4O — CID 95209222

IUPACN-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NC[C@H]1CCN(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)/t15-/m1/s1
InChIKeyYQRQUDKNEYMFOI-OAHLLOKOSA-N
MW326.44 g/mol
LogP2.33
Rot. Bonds6

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

N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide (PubChem CID 95209222) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
PubChem CID95209222
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NC[C@H]1CCN(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)/t15-/m1/s1
InChIKeyYQRQUDKNEYMFOI-OAHLLOKOSA-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-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide with MolForge

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Related Compounds

3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95708664
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 56893108
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385
2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide
CID 131929012
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
N-[[(3S)-1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methoxy-2-methylpropanamide
CID 95208919
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95202302
N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
CID 106123888
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide (CID 95209222) is N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NC[C@H]1CCN(Cc2ncc[nH]2)C1)c1ccccc1.
What is the InChIKey of N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
The InChIKey is YQRQUDKNEYMFOI-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide?
N-[[(3R)-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-[[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 95209222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).