5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride

C16H24Cl2N4O — CID 120647272

IUPAC5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCCCn1ccnc1C.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-12-5-6-14(17)11-15(12)16(21)19-7-3-4-9-20-10-8-18-13(20)2;;/h5-6,8,10-11H,3-4,7,9,17H2,1-2H3,(H,19,21);2*1H
InChIKeyPZKKUMGKLZAFDL-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.14
Rot. Bonds6

About 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride

5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride (PubChem CID 120647272) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
PubChem CID120647272
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC Name5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCCCn1ccnc1C.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-12-5-6-14(17)11-15(12)16(21)19-7-3-4-9-20-10-8-18-13(20)2;;/h5-6,8,10-11H,3-4,7,9,17H2,1-2H3,(H,19,21);2*1H
InChIKeyPZKKUMGKLZAFDL-UHFFFAOYSA-N
XLogP3.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 120644394
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CID 120622289
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
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2-bromo-N-[3-(2-methylimidazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55959113
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride (CID 120647272) is 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NCCCCn1ccnc1C.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride?
The InChIKey is PZKKUMGKLZAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.2ClH/c1-12-5-6-14(17)11-15(12)16(21)19-7-3-4-9-20-10-8-18-13(20)2;;/h5-6,8,10-11H,3-4,7,9,17H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride?
5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride is sourced from PubChem (CID 120647272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).