1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one

C23H31N3O2 — CID 10134459

IUPAC1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one
SMILESCCCC1CC=C(N2CCC(n3c(=O)n(C(C)=O)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-6-18-9-11-19(12-10-18)24-15-13-20(14-16-24)26-22-8-5-4-7-21(22)25(17(2)27)23(26)28/h4-5,7-8,11,18,20H,3,6,9-10,12-16H2,1-2H3
InChIKeyDZDMRGBOHFJXKG-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.58
Rot. Bonds4

About 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one

1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 10134459) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one
PubChem CID10134459
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one
SMILESCCCC1CC=C(N2CCC(n3c(=O)n(C(C)=O)c4ccccc43)CC2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-6-18-9-11-19(12-10-18)24-15-13-20(14-16-24)26-22-8-5-4-7-21(22)25(17(2)27)23(26)28/h4-5,7-8,11,18,20H,3,6,9-10,12-16H2,1-2H3
InChIKeyDZDMRGBOHFJXKG-UHFFFAOYSA-N
XLogP4.58
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one (CID 10134459) is 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one is CCCC1CC=C(N2CCC(n3c(=O)n(C(C)=O)c4ccccc43)CC2)CC1.
What is the InChIKey of 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one?
The InChIKey is DZDMRGBOHFJXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-6-18-9-11-19(12-10-18)24-15-13-20(14-16-24)26-22-8-5-4-7-21(22)25(17(2)27)23(26)28/h4-5,7-8,11,18,20H,3,6,9-10,12-16H2,1-2H3.
What are the key properties of 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one?
1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 381.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[1-(4-propylcyclohexen-1-yl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 10134459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).