N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride

C14H19Cl2FN4O — CID 119495560

IUPACN-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cncn1-c1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C14H17FN4O.2ClH/c1-10(16)6-7-18-14(20)13-8-17-9-19(13)12-4-2-11(15)3-5-12;;/h2-5,8-10H,6-7,16H2,1H3,(H,18,20);2*1H
InChIKeyDFASRAWSFHLLCU-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.32
Rot. Bonds5

About N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride

N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride (PubChem CID 119495560) has the molecular formula C14H19Cl2FN4O and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
PubChem CID119495560
Molecular FormulaC14H19Cl2FN4O
Molecular Weight349.24 g/mol
Exact Mass348.09
IUPAC NameN-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cncn1-c1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C14H17FN4O.2ClH/c1-10(16)6-7-18-14(20)13-8-17-9-19(13)12-4-2-11(15)3-5-12;;/h2-5,8-10H,6-7,16H2,1H3,(H,18,20);2*1H
InChIKeyDFASRAWSFHLLCU-UHFFFAOYSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride (CID 119495560) is N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride is CC(N)CCNC(=O)c1cncn1-c1ccc(F)cc1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride?
The InChIKey is DFASRAWSFHLLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O.2ClH/c1-10(16)6-7-18-14(20)13-8-17-9-19(13)12-4-2-11(15)3-5-12;;/h2-5,8-10H,6-7,16H2,1H3,(H,18,20);2*1H.
What are the key properties of N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride?
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride has a molecular weight of 349.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119495560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).