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

C11H14N4O — CID 116935370

IUPAC5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CNC1
InChIInChI=1S/C11H14N4O/c12-10(7-4-13-5-7)6-1-2-8-9(3-6)15-11(16)14-8/h1-3,7,10,13H,4-5,12H2,(H2,14,15,16)
InChIKeyVCXQCCUEVONGDN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.08
Rot. Bonds2

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

5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116935370) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116935370
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CNC1
InChIInChI=1S/C11H14N4O/c12-10(7-4-13-5-7)6-1-2-8-9(3-6)15-11(16)14-8/h1-3,7,10,13H,4-5,12H2,(H2,14,15,16)
InChIKeyVCXQCCUEVONGDN-UHFFFAOYSA-N
XLogP0.08
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[amino(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213868
2-(azetidin-3-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 116675039
5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116941178
5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[dimethylamino(pyrrolidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116906426
azetidin-3-yl-(3,4-difluorophenyl)methanamine
CID 116935312
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832

Frequently Asked Questions

What is the IUPAC name of 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 116935370) is 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is NC(c1ccc2[nH]c(=O)[nH]c2c1)C1CNC1.
What is the InChIKey of 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VCXQCCUEVONGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-10(7-4-13-5-7)6-1-2-8-9(3-6)15-11(16)14-8/h1-3,7,10,13H,4-5,12H2,(H2,14,15,16).
What are the key properties of 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116935370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).