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

C17H26Cl2N4O — CID 119608814

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(Cn2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13(2)17(3,11-18)20-16(22)15-6-4-14(5-7-15)10-21-9-8-19-12-21;;/h4-9,12-13H,10-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyRMKHTLBEYFLRGR-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.88
Rot. Bonds6

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

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride (PubChem CID 119608814) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
PubChem CID119608814
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(Cn2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13(2)17(3,11-18)20-16(22)15-6-4-14(5-7-15)10-21-9-8-19-12-21;;/h4-9,12-13H,10-11,18H2,1-3H3,(H,20,22);2*1H
InChIKeyRMKHTLBEYFLRGR-UHFFFAOYSA-N
XLogP2.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 119600171
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride (CID 119608814) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(Cn2ccnc2)cc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
The InChIKey is RMKHTLBEYFLRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-13(2)17(3,11-18)20-16(22)15-6-4-14(5-7-15)10-21-9-8-19-12-21;;/h4-9,12-13H,10-11,18H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.88, 6 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-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119608814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).