N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

C11H20Cl2N4O — CID 119869315

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1nccn1CCNC(=O)C1CCNC1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-9-13-4-6-15(9)7-5-14-11(16)10-2-3-12-8-10;;/h4,6,10,12H,2-3,5,7-8H2,1H3,(H,14,16);2*1H
InChIKeyOGFOJVZHFWDLEC-UHFFFAOYSA-N
MW295.21 g/mol
LogP0.76
Rot. Bonds4

About N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119869315) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119869315
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1nccn1CCNC(=O)C1CCNC1.Cl.Cl
InChIInChI=1S/C11H18N4O.2ClH/c1-9-13-4-6-15(9)7-5-14-11(16)10-2-3-12-8-10;;/h4,6,10,12H,2-3,5,7-8H2,1H3,(H,14,16);2*1H
InChIKeyOGFOJVZHFWDLEC-UHFFFAOYSA-N
XLogP0.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869277
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119892478
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90609276
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]cyclopropanecarboxamide
CID 91628946
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 94423103
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119869315) is N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1nccn1CCNC(=O)C1CCNC1.Cl.Cl.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is OGFOJVZHFWDLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c1-9-13-4-6-15(9)7-5-14-11(16)10-2-3-12-8-10;;/h4,6,10,12H,2-3,5,7-8H2,1H3,(H,14,16);2*1H.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119869315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).