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

C24H22ClN3O — CID 59322920

IUPAC3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2Cc3c(Cl)ccc4cccc2c34)CC1
InChIInChI=1S/C24H22ClN3O/c25-19-9-8-15-4-3-5-17-22(14-18(19)23(15)17)27-12-10-16(11-13-27)28-21-7-2-1-6-20(21)26-24(28)29/h1-9,16,22H,10-14H2,(H,26,29)
InChIKeyDVGUGRRYTRZVIM-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.07
Rot. Bonds2

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

3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 59322920) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID59322920
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2Cc3c(Cl)ccc4cccc2c34)CC1
InChIInChI=1S/C24H22ClN3O/c25-19-9-8-15-4-3-5-17-22(14-18(19)23(15)17)27-12-10-16(11-13-27)28-21-7-2-1-6-20(21)26-24(28)29/h1-9,16,22H,10-14H2,(H,26,29)
InChIKeyDVGUGRRYTRZVIM-UHFFFAOYSA-N
XLogP5.07
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 10309214
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-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322989
3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322916
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 6735522
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 173295713
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 59322920) is 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2Cc3c(Cl)ccc4cccc2c34)CC1.
What is the InChIKey of 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is DVGUGRRYTRZVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-19-9-8-15-4-3-5-17-22(14-18(19)23(15)17)27-12-10-16(11-13-27)28-21-7-2-1-6-20(21)26-24(28)29/h1-9,16,22H,10-14H2,(H,26,29).
What are the key properties of 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 403.91 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 59322920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).