(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C10H11BrN4O2 — CID 54996085

IUPAC(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H11BrN4O2/c1-4(12)9(16)13-6-3-8-7(2-5(6)11)14-10(17)15-8/h2-4H,12H2,1H3,(H,13,16)(H2,14,15,17)/t4-/m1/s1
InChIKeyMVJXGRHKQHPMGV-SCSAIBSYSA-N
MW299.13 g/mol
LogP0.90
Rot. Bonds2

About (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 54996085) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID54996085
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C10H11BrN4O2/c1-4(12)9(16)13-6-3-8-7(2-5(6)11)14-10(17)15-8/h2-4H,12H2,1H3,(H,13,16)(H2,14,15,17)/t4-/m1/s1
InChIKeyMVJXGRHKQHPMGV-SCSAIBSYSA-N
XLogP0.90
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3,3-dimethylbutanamide
CID 103928868
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 64592207
5-bromo-6-(3-methylbutan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741366
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
1-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 65464224
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
4-[[(2S)-2-aminopropanoyl]amino]-3-bromobenzoic acid
CID 78992135
5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741294
(2R)-2-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide
CID 119862463
7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide
CID 43710336
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 54996085) is (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is C[C@@H](N)C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is MVJXGRHKQHPMGV-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-4(12)9(16)13-6-3-8-7(2-5(6)11)14-10(17)15-8/h2-4H,12H2,1H3,(H,13,16)(H2,14,15,17)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 299.13 g/mol, XLogP of 0.90, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 54996085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).