(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride

C12H17ClN4O2 — CID 119309194

IUPAC(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-7(13)11(17)14-8-4-5-9-10(6-8)16(3)12(18)15(9)2;/h4-7H,13H2,1-3H3,(H,14,17);1H/t7-;/m1./s1
InChIKeyUPWMUFLTRPFTGG-OGFXRTJISA-N
MW284.75 g/mol
LogP0.58
Rot. Bonds2

About (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride

(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride (PubChem CID 119309194) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
PubChem CID119309194
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-7(13)11(17)14-8-4-5-9-10(6-8)16(3)12(18)15(9)2;/h4-7H,13H2,1-3H3,(H,14,17);1H/t7-;/m1./s1
InChIKeyUPWMUFLTRPFTGG-OGFXRTJISA-N
XLogP0.58
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
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CID 49168885
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
CID 92686106
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 21367833
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
CID 7421558
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
CID 49295659
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975675
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride (CID 119309194) is (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride is C[C@@H](N)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.Cl.
What is the InChIKey of (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride?
The InChIKey is UPWMUFLTRPFTGG-OGFXRTJISA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/c1-7(13)11(17)14-8-4-5-9-10(6-8)16(3)12(18)15(9)2;/h4-7H,13H2,1-3H3,(H,14,17);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride?
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 119309194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).