1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one

C18H26N2O — CID 115782747

IUPAC1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
SMILESCCCC(CCC)C(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C18H26N2O/c1-4-9-14(10-5-2)17(21)13-18-19-15-11-7-8-12-16(15)20(18)6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3
InChIKeyNSYGBQGQWQGXAZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.38
Rot. Bonds8

About 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one

1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one (PubChem CID 115782747) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
PubChem CID115782747
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
SMILESCCCC(CCC)C(=O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C18H26N2O/c1-4-9-14(10-5-2)17(21)13-18-19-15-11-7-8-12-16(15)20(18)6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3
InChIKeyNSYGBQGQWQGXAZ-UHFFFAOYSA-N
XLogP4.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)-3-methoxyhexan-2-one
CID 116708087
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587001
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one (CID 115782747) is 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one is CCCC(CCC)C(=O)Cc1nc2ccccc2n1CC.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one?
The InChIKey is NSYGBQGQWQGXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-9-14(10-5-2)17(21)13-18-19-15-11-7-8-12-16(15)20(18)6-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one?
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one has a molecular weight of 286.42 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one is sourced from PubChem (CID 115782747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).