(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride

C14H19ClN4O — CID 119265449

IUPAC(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCn2c1nc1ccccc12.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9(2)12(15)13(19)18-8-7-17-11-6-4-3-5-10(11)16-14(17)18;/h3-6,9,12H,7-8,15H2,1-2H3;1H/t12-;/m0./s1
InChIKeyZEWAANCLZNTTBO-YDALLXLXSA-N
MW294.79 g/mol
LogP1.79
Rot. Bonds2

About (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride

(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride (PubChem CID 119265449) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
PubChem CID119265449
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCn2c1nc1ccccc12.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-9(2)12(15)13(19)18-8-7-17-11-6-4-3-5-10(11)16-14(17)18;/h3-6,9,12H,7-8,15H2,1-2H3;1H/t12-;/m0./s1
InChIKeyZEWAANCLZNTTBO-YDALLXLXSA-N
XLogP1.79
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride (CID 119265449) is (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride is CC(C)[C@H](N)C(=O)N1CCn2c1nc1ccccc12.Cl.
What is the InChIKey of (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride?
The InChIKey is ZEWAANCLZNTTBO-YDALLXLXSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-9(2)12(15)13(19)18-8-7-17-11-6-4-3-5-10(11)16-14(17)18;/h3-6,9,12H,7-8,15H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride?
(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 119265449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).