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

C23H27N3O — CID 59322916

IUPAC3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1(C)CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C23H27N3O/c1-23(2)15-21(17-7-3-4-8-18(17)23)25-13-11-16(12-14-25)26-20-10-6-5-9-19(20)24-22(26)27/h3-10,16,21H,11-15H2,1-2H3,(H,24,27)
InChIKeyDMJMADRNBQIWPD-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.39
Rot. Bonds2

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

3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 59322916) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID59322916
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1(C)CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C23H27N3O/c1-23(2)15-21(17-7-3-4-8-18(17)23)25-13-11-16(12-14-25)26-20-10-6-5-9-19(20)24-22(26)27/h3-10,16,21H,11-15H2,1-2H3,(H,24,27)
InChIKeyDMJMADRNBQIWPD-UHFFFAOYSA-N
XLogP4.39
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322996
3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 10309214
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322982
3-[1-[(1R,2R)-1,2-dimethylcyclopropyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 172968605
3-[1-(3-chloro-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322920
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 173295713
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-[5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 59322989
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 59322916) is 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is CC1(C)CC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is DMJMADRNBQIWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-23(2)15-21(17-7-3-4-8-18(17)23)25-13-11-16(12-14-25)26-20-10-6-5-9-19(20)24-22(26)27/h3-10,16,21H,11-15H2,1-2H3,(H,24,27).
What are the key properties of 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 59322916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).