N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride

C11H18Cl2N4O — CID 154910556

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
SMILESCc1cnc(CN(C)C(=O)C2C=CCN2)[nH]1.Cl.Cl
InChIInChI=1S/C11H16N4O.2ClH/c1-8-6-13-10(14-8)7-15(2)11(16)9-4-3-5-12-9;;/h3-4,6,9,12H,5,7H2,1-2H3,(H,13,14);2*1H
InChIKeyFPJAATDCCZFBPF-UHFFFAOYSA-N
MW293.20 g/mol
LogP1.05
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride (PubChem CID 154910556) has the molecular formula C11H18Cl2N4O and a molecular weight of 293.20 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
PubChem CID154910556
Molecular FormulaC11H18Cl2N4O
Molecular Weight293.20 g/mol
Exact Mass292.09
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
SMILESCc1cnc(CN(C)C(=O)C2C=CCN2)[nH]1.Cl.Cl
InChIInChI=1S/C11H16N4O.2ClH/c1-8-6-13-10(14-8)7-15(2)11(16)9-4-3-5-12-9;;/h3-4,6,9,12H,5,7H2,1-2H3,(H,13,14);2*1H
InChIKeyFPJAATDCCZFBPF-UHFFFAOYSA-N
XLogP1.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride (CID 154910556) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride is Cc1cnc(CN(C)C(=O)C2C=CCN2)[nH]1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
The InChIKey is FPJAATDCCZFBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.2ClH/c1-8-6-13-10(14-8)7-15(2)11(16)9-4-3-5-12-9;;/h3-4,6,9,12H,5,7H2,1-2H3,(H,13,14);2*1H.
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride has a molecular weight of 293.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154910556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).