5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one

C15H22N2O2 — CID 62300603

IUPAC5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one
SMILESCCCCCC(O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H22N2O2/c1-4-5-6-7-14(18)11-8-9-12-13(10-11)17(3)15(19)16(12)2/h8-10,14,18H,4-7H2,1-3H3
InChIKeyFAGVGRMZVWGOEN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.49
Rot. Bonds5

About 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one

5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 62300603) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID62300603
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one
SMILESCCCCCC(O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H22N2O2/c1-4-5-6-7-14(18)11-8-9-12-13(10-11)17(3)15(19)16(12)2/h8-10,14,18H,4-7H2,1-3H3
InChIKeyFAGVGRMZVWGOEN-UHFFFAOYSA-N
XLogP2.49
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminohexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300256
5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid
CID 62298502
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746
1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one
CID 82174386
5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one
CID 62299747
5-[(1R)-2-[4-[(heptylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one
CID 124546812
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009925
1,3-dimethyl-5-octanoylbenzimidazol-2-one
CID 62298843
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114753375
5-(1-bromo-2,2-dimethylbutyl)-1,3-dimethylbenzimidazol-2-one
CID 55103305

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one (CID 62300603) is 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one is CCCCCC(O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is FAGVGRMZVWGOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-5-6-7-14(18)11-8-9-12-13(10-11)17(3)15(19)16(12)2/h8-10,14,18H,4-7H2,1-3H3.
What are the key properties of 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one?
5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62300603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).