1-(4-oxohexyl)-3-propylbenzimidazol-2-one

C16H22N2O2 — CID 106801721

IUPAC1-(4-oxohexyl)-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCCC(=O)CC)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-3-11-17-14-9-5-6-10-15(14)18(16(17)20)12-7-8-13(19)4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyPBIHMSXNYNFUCG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.97
Rot. Bonds7

About 1-(4-oxohexyl)-3-propylbenzimidazol-2-one

1-(4-oxohexyl)-3-propylbenzimidazol-2-one (PubChem CID 106801721) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-oxohexyl)-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(4-oxohexyl)-3-propylbenzimidazol-2-one
PubChem CID106801721
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-oxohexyl)-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(CCCC(=O)CC)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-3-11-17-14-9-5-6-10-15(14)18(16(17)20)12-7-8-13(19)4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyPBIHMSXNYNFUCG-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

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Related Compounds

1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]cyclopropanecarbohydrazide
CID 27019386
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
N-(1-cyanocyclopentyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 86913699
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
1-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one
CID 119560953

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxohexyl)-3-propylbenzimidazol-2-one?
The IUPAC name of 1-(4-oxohexyl)-3-propylbenzimidazol-2-one (CID 106801721) is 1-(4-oxohexyl)-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-(4-oxohexyl)-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-(4-oxohexyl)-3-propylbenzimidazol-2-one is CCCn1c(=O)n(CCCC(=O)CC)c2ccccc21.
What is the InChIKey of 1-(4-oxohexyl)-3-propylbenzimidazol-2-one?
The InChIKey is PBIHMSXNYNFUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11-17-14-9-5-6-10-15(14)18(16(17)20)12-7-8-13(19)4-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(4-oxohexyl)-3-propylbenzimidazol-2-one?
1-(4-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-(4-oxohexyl)-3-propylbenzimidazol-2-one is sourced from PubChem (CID 106801721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).