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

C15H19Cl2FN4O2 — CID 120943165

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

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Related Compounds

3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
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5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
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CID 47007581
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
CID 56552112
3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 119550677
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
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3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
CID 17477971
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
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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).