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

C18H24N4O — CID 71975541

IUPACN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1nccn1CCCc1ccccc1)N1CCCC1
InChIInChI=1S/C18H24N4O/c23-18(22-11-4-5-12-22)20-15-17-19-10-14-21(17)13-6-9-16-7-2-1-3-8-16/h1-3,7-8,10,14H,4-6,9,11-13,15H2,(H,20,23)
InChIKeyQRGCSRRDAFEDTC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.82
Rot. Bonds6

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

N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 71975541) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID71975541
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1nccn1CCCc1ccccc1)N1CCCC1
InChIInChI=1S/C18H24N4O/c23-18(22-11-4-5-12-22)20-15-17-19-10-14-21(17)13-6-9-16-7-2-1-3-8-16/h1-3,7-8,10,14H,4-6,9,11-13,15H2,(H,20,23)
InChIKeyQRGCSRRDAFEDTC-UHFFFAOYSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
CID 146133770
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
CID 86807593
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 119898590
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide (CID 71975541) is N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1nccn1CCCc1ccccc1)N1CCCC1.
What is the InChIKey of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is QRGCSRRDAFEDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(22-11-4-5-12-22)20-15-17-19-10-14-21(17)13-6-9-16-7-2-1-3-8-16/h1-3,7-8,10,14H,4-6,9,11-13,15H2,(H,20,23).
What are the key properties of N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide?
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71975541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).