Skip to content

3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride

C15H19Cl2FN4O2 — CID 120943165

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2.2ClH/c16-11-1-3-12(4-2-11)20-9-18-7-13(20)15(22)19-6-10-5-17-8-14(10)21;;/h1-4,7,9-10,14,17,21H,5-6,8H2,(H,19,22);2*1H
InChIKeySJSMIALAFOJTDC-UHFFFAOYSA-N
MW377.25 g/mol
LogP1.17
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride

3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride (PubChem CID 120943165) has the molecular formula C15H19Cl2FN4O2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
PubChem CID120943165
Molecular FormulaC15H19Cl2FN4O2
Molecular Weight377.25 g/mol
Exact Mass376.09
IUPAC Name3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O2.2ClH/c16-11-1-3-12(4-2-11)20-9-18-7-13(20)15(22)19-6-10-5-17-8-14(10)21;;/h1-4,7,9-10,14,17,21H,5-6,8H2,(H,19,22);2*1H
InChIKeySJSMIALAFOJTDC-UHFFFAOYSA-N
XLogP1.17
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride (CID 120943165) is 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CNCC1O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride?
The InChIKey is SJSMIALAFOJTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2.2ClH/c16-11-1-3-12(4-2-11)20-9-18-7-13(20)15(22)19-6-10-5-17-8-14(10)21;;/h1-4,7,9-10,14,17,21H,5-6,8H2,(H,19,22);2*1H.
What are the key properties of 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride?
3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride has a molecular weight of 377.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120943165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.