5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one

C15H21N3O2 — CID 79759243

IUPAC5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCC1OCCC1C(N)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H21N3O2/c1-9-11(6-7-20-9)14(16)10-4-5-12-13(8-10)18(3)15(19)17(12)2/h4-5,8-9,11,14H,6-7,16H2,1-3H3
InChIKeyBUBUXVRVUWOUIE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.30
Rot. Bonds2

About 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one

5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 79759243) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID79759243
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCC1OCCC1C(N)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H21N3O2/c1-9-11(6-7-20-9)14(16)10-4-5-12-13(8-10)18(3)15(19)17(12)2/h4-5,8-9,11,14H,6-7,16H2,1-3H3
InChIKeyBUBUXVRVUWOUIE-UHFFFAOYSA-N
XLogP1.30
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 79759243) is 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one is CC1OCCC1C(N)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is BUBUXVRVUWOUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-11(6-7-20-9)14(16)10-4-5-12-13(8-10)18(3)15(19)17(12)2/h4-5,8-9,11,14H,6-7,16H2,1-3H3.
What are the key properties of 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 79759243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).