N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

C20H22N4OS — CID 45230803

IUPACN-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN2Cc2ccsc2)cc1
InChIInChI=1S/C20H22N4OS/c1-15-21-9-11-24(15)18-6-4-17(5-7-18)22-20(25)19-3-2-10-23(19)13-16-8-12-26-14-16/h4-9,11-12,14,19H,2-3,10,13H2,1H3,(H,22,25)
InChIKeySDBLEQFDZIWPJM-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 45230803) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID45230803
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2CCCN2Cc2ccsc2)cc1
InChIInChI=1S/C20H22N4OS/c1-15-21-9-11-24(15)18-6-4-17(5-7-18)22-20(25)19-3-2-10-23(19)13-16-8-12-26-14-16/h4-9,11-12,14,19H,2-3,10,13H2,1H3,(H,22,25)
InChIKeySDBLEQFDZIWPJM-UHFFFAOYSA-N
XLogP3.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45191571
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 45245345
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45234559
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 24790225
(2R)-1-[3-(furan-2-yl)propanoyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 42456646
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 131915667
(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42192308
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 45192719

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (CID 45230803) is N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2CCCN2Cc2ccsc2)cc1.
What is the InChIKey of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is SDBLEQFDZIWPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15-21-9-11-24(15)18-6-4-17(5-7-18)22-20(25)19-3-2-10-23(19)13-16-8-12-26-14-16/h4-9,11-12,14,19H,2-3,10,13H2,1H3,(H,22,25).
What are the key properties of N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45230803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).