1-(5-oxohexyl)-3-propylbenzimidazol-2-one

C16H22N2O2 — CID 62024547

IUPAC1-(5-oxohexyl)-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCCCC(C)=O)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-3-11-17-14-9-4-5-10-15(14)18(16(17)20)12-7-6-8-13(2)19/h4-5,9-10H,3,6-8,11-12H2,1-2H3
InChIKeySUYWZKNSOAPPFW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.97
Rot. Bonds7

About 1-(5-oxohexyl)-3-propylbenzimidazol-2-one

1-(5-oxohexyl)-3-propylbenzimidazol-2-one (PubChem CID 62024547) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(5-oxohexyl)-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(5-oxohexyl)-3-propylbenzimidazol-2-one
PubChem CID62024547
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(5-oxohexyl)-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCCCC(C)=O)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-3-11-17-14-9-4-5-10-15(14)18(16(17)20)12-7-6-8-13(2)19/h4-5,9-10H,3,6-8,11-12H2,1-2H3
InChIKeySUYWZKNSOAPPFW-UHFFFAOYSA-N
XLogP2.97
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
1-butyl-3-prop-1-en-2-ylbenzimidazol-2-one
CID 12706858
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
7-(2,5-dihydroxypyrrol-1-yl)heptan-2-one
CID 91494577
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 24524945

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxohexyl)-3-propylbenzimidazol-2-one?
The IUPAC name of 1-(5-oxohexyl)-3-propylbenzimidazol-2-one (CID 62024547) is 1-(5-oxohexyl)-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-(5-oxohexyl)-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-(5-oxohexyl)-3-propylbenzimidazol-2-one is CCCn1c(=O)n(CCCCC(C)=O)c2ccccc21.
What is the InChIKey of 1-(5-oxohexyl)-3-propylbenzimidazol-2-one?
The InChIKey is SUYWZKNSOAPPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-17-14-9-4-5-10-15(14)18(16(17)20)12-7-6-8-13(2)19/h4-5,9-10H,3,6-8,11-12H2,1-2H3.
What are the key properties of 1-(5-oxohexyl)-3-propylbenzimidazol-2-one?
1-(5-oxohexyl)-3-propylbenzimidazol-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxohexyl)-3-propylbenzimidazol-2-one is sourced from PubChem (CID 62024547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).