1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one

C12H16N2O — CID 59333227

IUPAC1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
SMILESCC(C)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3/h5-8H,1-4H3
InChIKeyNMBBDZDCKOFMKI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one

1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one (PubChem CID 59333227) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
PubChem CID59333227
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
SMILESCC(C)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C12H16N2O/c1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3/h5-8H,1-4H3
InChIKeyNMBBDZDCKOFMKI-UHFFFAOYSA-N
XLogP2.00
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[chloro(phenyl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62300779
5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one
CID 62299747
1-[(3S)-6-hydroxy-2-oxopiperidin-3-yl]-3-methyl-5-propan-2-ylbenzimidazol-2-one
CID 166733214
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
5-[bromo(furan-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 55053977
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746
5-[chloro(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62298507
5-(1-bromo-2,2-dimethylbutyl)-1,3-dimethylbenzimidazol-2-one
CID 55103305
5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300603
5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 55053661
1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one
CID 79660272
5-(1-bromo-3,3,3-trifluoropropyl)-1,3-dimethylbenzimidazol-2-one
CID 62299926

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one (CID 59333227) is 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one is CC(C)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one?
The InChIKey is NMBBDZDCKOFMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)9-5-6-10-11(7-9)14(4)12(15)13(10)3/h5-8H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one?
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 59333227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).