1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole

C18H21N5 — CID 154820358

IUPAC1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
SMILESCCN1CCC(n2ccnc2-c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C18H21N5/c1-2-21-10-7-17(13-21)23-12-9-20-18(23)15-3-5-16(6-4-15)22-11-8-19-14-22/h3-6,8-9,11-12,14,17H,2,7,10,13H2,1H3
InChIKeyAIXXALCRZLSOPO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.00
Rot. Bonds4

About 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole

1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole (PubChem CID 154820358) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
PubChem CID154820358
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
SMILESCCN1CCC(n2ccnc2-c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C18H21N5/c1-2-21-10-7-17(13-21)23-12-9-20-18(23)15-3-5-16(6-4-15)22-11-8-19-14-22/h3-6,8-9,11-12,14,17H,2,7,10,13H2,1H3
InChIKeyAIXXALCRZLSOPO-UHFFFAOYSA-N
XLogP3.00
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole 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

5-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 154817183
7-[1-(1-ethylpyrrolidin-3-yl)imidazol-2-yl]-1H-indole
CID 155502063
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
1-(1-cyclopropylcyclopropyl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 146046493
1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 146043336
1-(1-ethylpiperidin-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]-N-methylmethanamine
CID 56701602
4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine
CID 56863611
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
3-[2-(2-chloro-3,4-dimethoxyphenyl)imidazol-1-yl]-1-ethylpiperidine
CID 146038437
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
6-chloro-2-[1-(1-ethylpiperidin-3-yl)imidazol-2-yl]quinoline
CID 146039646

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole (CID 154820358) is 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole is CCN1CCC(n2ccnc2-c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
The InChIKey is AIXXALCRZLSOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-21-10-7-17(13-21)23-12-9-20-18(23)15-3-5-16(6-4-15)22-11-8-19-14-22/h3-6,8-9,11-12,14,17H,2,7,10,13H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole?
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole has a molecular weight of 307.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole is sourced from PubChem (CID 154820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).