2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

C27H27ClN4O2 — CID 68700743

IUPAC2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5c(Cl)ccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H27ClN4O2/c1-29-25(33)16-31-22-7-2-3-8-23(22)32(27(31)34)18-11-13-30(14-12-18)24-15-17-5-4-6-19-21(28)10-9-20(24)26(17)19/h2-10,18,24H,11-16H2,1H3,(H,29,33)/t24-/m1/s1
InChIKeyKRPFBEJZMQPGEB-XMMPIXPASA-N
MW474.99 g/mol
LogP4.29
Rot. Bonds4

About 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (PubChem CID 68700743) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
PubChem CID68700743
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5c(Cl)ccc3c45)CC2)c2ccccc21
InChIInChI=1S/C27H27ClN4O2/c1-29-25(33)16-31-22-7-2-3-8-23(22)32(27(31)34)18-11-13-30(14-12-18)24-15-17-5-4-6-19-21(28)10-9-20(24)26(17)19/h2-10,18,24H,11-16H2,1H3,(H,29,33)/t24-/m1/s1
InChIKeyKRPFBEJZMQPGEB-XMMPIXPASA-N
XLogP4.29
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[1-(5-hydroxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 25059296
2-[3-[1-(5-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 25059295
2-[3-[1-(5-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322995
2-[3-[1-(3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 59322913
1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one
CID 59322987
2-[3-[1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-ethylacetamide
CID 59323001
[(1R)-1-[3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]-2-(methylamino)-2-oxoethyl] methanesulfonate
CID 87281280
2-[3-[1-(2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide
CID 68703904
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
tert-butyl 4-[3-(3-bromopropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 71650694
tert-butyl 4-[3-[4-(2-chlorophenyl)butyl]-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 174224744

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide (CID 68700743) is 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5c(Cl)ccc3c45)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
The InChIKey is KRPFBEJZMQPGEB-XMMPIXPASA-N. The full InChI is InChI=1S/C27H27ClN4O2/c1-29-25(33)16-31-22-7-2-3-8-23(22)32(27(31)34)18-11-13-30(14-12-18)24-15-17-5-4-6-19-21(28)10-9-20(24)26(17)19/h2-10,18,24H,11-16H2,1H3,(H,29,33)/t24-/m1/s1.
What are the key properties of 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide?
2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide has a molecular weight of 474.99 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(1R)-6-chloro-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 68700743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).