5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C12H16N4O — CID 116961253

IUPAC5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1(N)CC1
InChIInChI=1S/C12H16N4O/c1-14-10(12(13)4-5-12)7-2-3-8-9(6-7)16-11(17)15-8/h2-3,6,10,14H,4-5,13H2,1H3,(H2,15,16,17)
InChIKeyNPRYWUZMXSWTME-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.61
Rot. Bonds3

About 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116961253) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116961253
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1(N)CC1
InChIInChI=1S/C12H16N4O/c1-14-10(12(13)4-5-12)7-2-3-8-9(6-7)16-11(17)15-8/h2-3,6,10,14H,4-5,13H2,1H3,(H2,15,16,17)
InChIKeyNPRYWUZMXSWTME-UHFFFAOYSA-N
XLogP0.61
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 116836212
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961270
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
1-[(4-chlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961162
5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 83153990
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 116961253) is 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)C1(N)CC1.
What is the InChIKey of 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NPRYWUZMXSWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-14-10(12(13)4-5-12)7-2-3-8-9(6-7)16-11(17)15-8/h2-3,6,10,14H,4-5,13H2,1H3,(H2,15,16,17).
What are the key properties of 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116961253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).