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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Related Compounds

3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 51931352
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
N-(3-aminobutyl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119498458
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581
3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
CID 120943165
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099

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).