3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one

C24H23N3O — CID 10309214

IUPAC3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2Cc3cccc4cccc2c34)CC1
InChIInChI=1S/C24H23N3O/c28-24-25-20-9-1-2-10-21(20)27(24)18-11-13-26(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,25,28)
InChIKeyVSKOUBDVXYXQKC-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.42
Rot. Bonds2

About 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 10309214) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID10309214
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2Cc3cccc4cccc2c34)CC1
InChIInChI=1S/C24H23N3O/c28-24-25-20-9-1-2-10-21(20)27(24)18-11-13-26(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,25,28)
InChIKeyVSKOUBDVXYXQKC-UHFFFAOYSA-N
XLogP4.42
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322920
3-[1-(8-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 68703641
3-[1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322996
3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322982
3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322916
3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322989
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 173295713
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 10309214) is 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2Cc3cccc4cccc2c34)CC1.
What is the InChIKey of 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VSKOUBDVXYXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-24-25-20-9-1-2-10-21(20)27(24)18-11-13-26(14-12-18)22-15-17-7-3-5-16-6-4-8-19(22)23(16)17/h1-10,18,22H,11-15H2,(H,25,28).
What are the key properties of 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 369.47 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10309214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).