5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide

C20H28N4O — CID 166354903

IUPAC5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCc2nccn2CCCc2ccccc2)CN1
InChIInChI=1S/C20H28N4O/c1-20(2)13-17(14-23-20)19(25)22-15-18-21-10-12-24(18)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12,17,23H,6,9,11,13-15H2,1-2H3,(H,22,25)
InChIKeyHFCQACYATHZGGN-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.52
Rot. Bonds7

About 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide

5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 166354903) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID166354903
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
SMILESCC1(C)CC(C(=O)NCc2nccn2CCCc2ccccc2)CN1
InChIInChI=1S/C20H28N4O/c1-20(2)13-17(14-23-20)19(25)22-15-18-21-10-12-24(18)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12,17,23H,6,9,11,13-15H2,1-2H3,(H,22,25)
InChIKeyHFCQACYATHZGGN-UHFFFAOYSA-N
XLogP2.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 167906073
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide (CID 166354903) is 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide is CC1(C)CC(C(=O)NCc2nccn2CCCc2ccccc2)CN1.
What is the InChIKey of 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is HFCQACYATHZGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2)13-17(14-23-20)19(25)22-15-18-21-10-12-24(18)11-6-9-16-7-4-3-5-8-16/h3-5,7-8,10,12,17,23H,6,9,11,13-15H2,1-2H3,(H,22,25).
What are the key properties of 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide?
5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166354903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).