N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride

C17H25ClN4O — CID 68896503

IUPACN-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)Nc1cccc(-c2cnc(N)[nH]2)c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-3-5-7-12(4-2)16(22)20-14-9-6-8-13(10-14)15-11-19-17(18)21-15;/h6,8-12H,3-5,7H2,1-2H3,(H,20,22)(H3,18,19,21);1H
InChIKeyRSQNUCOSSWNXLJ-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.24
Rot. Bonds7

About N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride

N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride (PubChem CID 68896503) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
PubChem CID68896503
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
SMILESCCCCC(CC)C(=O)Nc1cccc(-c2cnc(N)[nH]2)c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-3-5-7-12(4-2)16(22)20-14-9-6-8-13(10-14)15-11-19-17(18)21-15;/h6,8-12H,3-5,7H2,1-2H3,(H,20,22)(H3,18,19,21);1H
InChIKeyRSQNUCOSSWNXLJ-UHFFFAOYSA-N
XLogP4.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-hexylurea
CID 135329820
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
CID 150557404
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
2-ethyl-N-(3-formylphenyl)hexanamide
CID 54554247
5-amino-N-(3-aminophenyl)-2-ethylpentanamide
CID 164939498
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea
CID 135329895
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea
CID 135329900
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7261173

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride?
The IUPAC name of N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride (CID 68896503) is N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride?
The canonical SMILES for N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride is CCCCC(CC)C(=O)Nc1cccc(-c2cnc(N)[nH]2)c1.Cl.
What is the InChIKey of N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride?
The InChIKey is RSQNUCOSSWNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-3-5-7-12(4-2)16(22)20-14-9-6-8-13(10-14)15-11-19-17(18)21-15;/h6,8-12H,3-5,7H2,1-2H3,(H,20,22)(H3,18,19,21);1H.
What are the key properties of N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride?
N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride is sourced from PubChem (CID 68896503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).