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

C21H26N6O — CID 45215230

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1ccnc1CN1CCCC1C(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C21H26N6O/c1-3-25-13-10-23-20(25)15-26-12-4-5-19(26)21(28)24-17-6-8-18(9-7-17)27-14-11-22-16(27)2/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,24,28)
InChIKeyUTFLIRWDYNFLSY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.00
Rot. Bonds6

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

1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45215230) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45215230
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCn1ccnc1CN1CCCC1C(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C21H26N6O/c1-3-25-13-10-23-20(25)15-26-12-4-5-19(26)21(28)24-17-6-8-18(9-7-17)27-14-11-22-16(27)2/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,24,28)
InChIKeyUTFLIRWDYNFLSY-UHFFFAOYSA-N
XLogP3.00
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 45215230) is 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is CCn1ccnc1CN1CCCC1C(=O)Nc1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UTFLIRWDYNFLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-25-13-10-23-20(25)15-26-12-4-5-19(26)21(28)24-17-6-8-18(9-7-17)27-14-11-22-16(27)2/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,24,28).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45215230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).