5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one

C11H16N4O — CID 115131681

IUPAC5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(CN)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H16N4O/c1-11(2,6-12)15-7-3-4-8-9(5-7)14-10(16)13-8/h3-5,15H,6,12H2,1-2H3,(H2,13,14,16)
InChIKeyDCDHDBUNPAJYFM-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.01
Rot. Bonds3

About 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one

5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115131681) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115131681
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(CN)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H16N4O/c1-11(2,6-12)15-7-3-4-8-9(5-7)14-10(16)13-8/h3-5,15H,6,12H2,1-2H3,(H2,13,14,16)
InChIKeyDCDHDBUNPAJYFM-UHFFFAOYSA-N
XLogP1.01
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
2-tert-butylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 34828406
5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
5-(3-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 28622281
methyl 2,2-dimethyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propanoate
CID 115233592
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
5-(2-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 43201929
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3,5-dimethoxybenzoate
CID 24661375
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 116950122

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one (CID 115131681) is 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one is CC(C)(CN)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DCDHDBUNPAJYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2,6-12)15-7-3-4-8-9(5-7)14-10(16)13-8/h3-5,15H,6,12H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 220.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2-methylpropan-2-yl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115131681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).