3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide

C21H29N5O — CID 136517806

IUPAC3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NC(CN2CCCC2)c2ccccc2)C1
InChIInChI=1S/C21H29N5O/c1-24-14-10-22-20(24)18-9-13-26(15-18)21(27)23-19(16-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-8,10,14,18-19H,5-6,9,11-13,15-16H2,1H3,(H,23,27)
InChIKeyYMCMMOVNXJSUCU-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.76
Rot. Bonds5

About 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide

3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 136517806) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
PubChem CID136517806
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)NC(CN2CCCC2)c2ccccc2)C1
InChIInChI=1S/C21H29N5O/c1-24-14-10-22-20(24)18-9-13-26(15-18)21(27)23-19(16-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-8,10,14,18-19H,5-6,9,11-13,15-16H2,1H3,(H,23,27)
InChIKeyYMCMMOVNXJSUCU-UHFFFAOYSA-N
XLogP2.76
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
1-(4-methyl-3-oxopyrazin-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 75505367
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
CID 166236817
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-1-carboxamide
CID 78892036
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 78892187
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
4-(3-cyano-2-pyridinyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78857188
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide (CID 136517806) is 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide is Cn1ccnc1C1CCN(C(=O)NC(CN2CCCC2)c2ccccc2)C1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is YMCMMOVNXJSUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-24-14-10-22-20(24)18-9-13-26(15-18)21(27)23-19(16-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-8,10,14,18-19H,5-6,9,11-13,15-16H2,1H3,(H,23,27).
What are the key properties of 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136517806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).