(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide

C18H24N4O2 — CID 167906073

IUPAC(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@H](C(=O)NCc2nccn2CCc2ccccc2)C1
InChIInChI=1S/C18H24N4O2/c1-24-15-11-16(20-12-15)18(23)21-13-17-19-8-10-22(17)9-7-14-5-3-2-4-6-14/h2-6,8,10,15-16,20H,7,9,11-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyWCVKUWGITQJXMG-HOTGVXAUSA-N
MW328.42 g/mol
LogP1.12
Rot. Bonds7

About (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 167906073) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID167906073
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCO[C@@H]1CN[C@H](C(=O)NCc2nccn2CCc2ccccc2)C1
InChIInChI=1S/C18H24N4O2/c1-24-15-11-16(20-12-15)18(23)21-13-17-19-8-10-22(17)9-7-14-5-3-2-4-6-14/h2-6,8,10,15-16,20H,7,9,11-13H2,1H3,(H,21,23)/t15-,16-/m0/s1
InChIKeyWCVKUWGITQJXMG-HOTGVXAUSA-N
XLogP1.12
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
1-(4-methoxypyrrolidin-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 116560631
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 166354903
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 106896215
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
4-methoxy-N-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 106417108
methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274724
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide (CID 167906073) is (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide is CO[C@@H]1CN[C@H](C(=O)NCc2nccn2CCc2ccccc2)C1.
What is the InChIKey of (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WCVKUWGITQJXMG-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-15-11-16(20-12-15)18(23)21-13-17-19-8-10-22(17)9-7-14-5-3-2-4-6-14/h2-6,8,10,15-16,20H,7,9,11-13H2,1H3,(H,21,23)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167906073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).