N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C17H29N5O — CID 71868059

IUPACN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H29N5O/c1-14(2)12-21-10-6-18-16(21)11-19-17(23)22-9-5-15(13-22)20-7-3-4-8-20/h6,10,14-15H,3-5,7-9,11-13H2,1-2H3,(H,19,23)
InChIKeyGOJZXGNRGBEFPH-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.92
Rot. Bonds5

About N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 71868059) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID71868059
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccnc1CNC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H29N5O/c1-14(2)12-21-10-6-18-16(21)11-19-17(23)22-9-5-15(13-22)20-7-3-4-8-20/h6,10,14-15H,3-5,7-9,11-13H2,1-2H3,(H,19,23)
InChIKeyGOJZXGNRGBEFPH-UHFFFAOYSA-N
XLogP1.92
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 71868059) is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is CC(C)Cn1ccnc1CNC(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is GOJZXGNRGBEFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-14(2)12-21-10-6-18-16(21)11-19-17(23)22-9-5-15(13-22)20-7-3-4-8-20/h6,10,14-15H,3-5,7-9,11-13H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71868059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).