N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride

C16H10ClF5N4O — CID 118711440

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)[nH]1
InChIInChI=1S/C16H9F5N4O.ClH/c17-10-9(11(18)13(20)14(21)12(10)19)15(26)24-7-3-1-6(2-4-7)8-5-23-16(22)25-8;/h1-5H,(H,24,26)(H3,22,23,25);1H
InChIKeyRJRGTBMQGXISNE-UHFFFAOYSA-N
MW404.73 g/mol
LogP4.03
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride (PubChem CID 118711440) has the molecular formula C16H10ClF5N4O and a molecular weight of 404.73 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride
PubChem CID118711440
Molecular FormulaC16H10ClF5N4O
Molecular Weight404.73 g/mol
Exact Mass404.05
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)[nH]1
InChIInChI=1S/C16H9F5N4O.ClH/c17-10-9(11(18)13(20)14(21)12(10)19)15(26)24-7-3-1-6(2-4-7)8-5-23-16(22)25-8;/h1-5H,(H,24,26)(H3,22,23,25);1H
InChIKeyRJRGTBMQGXISNE-UHFFFAOYSA-N
XLogP4.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
CID 118711465
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 118711458
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
CID 118711467
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
CID 162665607
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
CID 69483664
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride
CID 162650698
1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 135329848
bis(5-(4-bromophenyl)-1H-imidazol-2-amine);sulfuric acid
CID 121229057
5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 66202105

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride (CID 118711440) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride is Cl.Nc1ncc(-c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride?
The InChIKey is RJRGTBMQGXISNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N4O.ClH/c17-10-9(11(18)13(20)14(21)12(10)19)15(26)24-7-3-1-6(2-4-7)8-5-23-16(22)25-8;/h1-5H,(H,24,26)(H3,22,23,25);1H.
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride has a molecular weight of 404.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride is sourced from PubChem (CID 118711440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).