N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride

C16H24Cl2N4O — CID 119607123

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-12(2)16(3,10-17)19-15(21)13-4-6-14(7-5-13)20-9-8-18-11-20;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H
InChIKeyQRQOESKCAJTNQW-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.82
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride (PubChem CID 119607123) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
PubChem CID119607123
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-12(2)16(3,10-17)19-15(21)13-4-6-14(7-5-13)20-9-8-18-11-20;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H
InChIKeyQRQOESKCAJTNQW-UHFFFAOYSA-N
XLogP2.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119608814
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 110445434
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
4-imidazol-1-yl-N-propylbenzamide
CID 31533072

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride (CID 119607123) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride?
The InChIKey is QRQOESKCAJTNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.2ClH/c1-12(2)16(3,10-17)19-15(21)13-4-6-14(7-5-13)20-9-8-18-11-20;;/h4-9,11-12H,10,17H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119607123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).