(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C10H18Cl2N4O — CID 71587588

IUPAC(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1cnc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O.2ClH/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8;;/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15);2*1H/t9-;;/m0../s1
InChIKeyOCASMTZDEUOLQA-WWPIYYJJSA-N
MW281.19 g/mol
LogP0.66
Rot. Bonds4

About (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 71587588) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID71587588
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1cnc[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O.2ClH/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8;;/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15);2*1H/t9-;;/m0../s1
InChIKeyOCASMTZDEUOLQA-WWPIYYJJSA-N
XLogP0.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 71587588) is (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCc1cnc[nH]1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is OCASMTZDEUOLQA-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8;;/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15);2*1H/t9-;;/m0../s1.
What are the key properties of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 71587588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).