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

C11H13N3O2 — CID 116836212

IUPAC5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC1(C(O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C11H13N3O2/c12-11(3-4-11)9(15)6-1-2-7-8(5-6)14-10(16)13-7/h1-2,5,9,15H,3-4,12H2,(H2,13,14,16)
InChIKeyOMBJFNMCKVDGHS-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.38
Rot. Bonds2

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

5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116836212) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116836212
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC1(C(O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C11H13N3O2/c12-11(3-4-11)9(15)6-1-2-7-8(5-6)14-10(16)13-7/h1-2,5,9,15H,3-4,12H2,(H2,13,14,16)
InChIKeyOMBJFNMCKVDGHS-UHFFFAOYSA-N
XLogP0.38
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116961253
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
5-(2,2-difluoro-1-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 104632705
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 66475420
5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61088445
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (CID 116836212) is 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is NC1(C(O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OMBJFNMCKVDGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-11(3-4-11)9(15)6-1-2-7-8(5-6)14-10(16)13-7/h1-2,5,9,15H,3-4,12H2,(H2,13,14,16).
What are the key properties of 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116836212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).