1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C20H24N6O — CID 45191571

IUPAC1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN2Cc2nccn2C)cc1
InChIInChI=1S/C20H24N6O/c1-15-21-10-13-26(15)17-7-5-16(6-8-17)23-20(27)18-4-3-11-25(18)14-19-22-9-12-24(19)2/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,23,27)
InChIKeyXLQRJKCNAQIHIX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.52
Rot. Bonds5

About 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide

1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45191571) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45191571
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN2Cc2nccn2C)cc1
InChIInChI=1S/C20H24N6O/c1-15-21-10-13-26(15)17-7-5-16(6-8-17)23-20(27)18-4-3-11-25(18)14-19-22-9-12-24(19)2/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,23,27)
InChIKeyXLQRJKCNAQIHIX-UHFFFAOYSA-N
XLogP2.52
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45230803
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45234559
(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42515252
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 45245345
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 25287412
(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 42456646
N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
1-acetyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 86998698
(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274414
(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 131915667
1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45217335

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 45191571) is 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2CCCN2Cc2nccn2C)cc1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XLQRJKCNAQIHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-21-10-13-26(15)17-7-5-16(6-8-17)23-20(27)18-4-3-11-25(18)14-19-22-9-12-24(19)2/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,23,27).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45191571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).