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

C17H20N4O — CID 122566922

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)C1C=CCN1
InChIInChI=1S/C17H20N4O/c1-20(17(22)15-8-5-9-18-15)13-16-19-10-11-21(16)12-14-6-3-2-4-7-14/h2-8,10-11,15,18H,9,12-13H2,1H3
InChIKeyCLDXLTYUSQAGQW-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.42
Rot. Bonds5

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

N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 122566922) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID122566922
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)C1C=CCN1
InChIInChI=1S/C17H20N4O/c1-20(17(22)15-8-5-9-18-15)13-16-19-10-11-21(16)12-14-6-3-2-4-7-14/h2-8,10-11,15,18H,9,12-13H2,1H3
InChIKeyCLDXLTYUSQAGQW-UHFFFAOYSA-N
XLogP1.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 122566922) is N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide is CN(Cc1nccn1Cc1ccccc1)C(=O)C1C=CCN1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is CLDXLTYUSQAGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20(17(22)15-8-5-9-18-15)13-16-19-10-11-21(16)12-14-6-3-2-4-7-14/h2-8,10-11,15,18H,9,12-13H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122566922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).