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

C30H32N4O3 — CID 23063006

IUPAC1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one
SMILESO=C(Cn1c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C30H32N4O3/c35-28(32-15-17-37-18-16-32)20-33-25-9-1-2-10-26(25)34(30(33)36)23-11-13-31(14-12-23)27-19-22-7-3-5-21-6-4-8-24(27)29(21)22/h1-10,23,27H,11-20H2
InChIKeyWXWVWHYUWFMSOW-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.75
Rot. Bonds4

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

1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one (PubChem CID 23063006) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one
PubChem CID23063006
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one
SMILESO=C(Cn1c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21)N1CCOCC1
InChIInChI=1S/C30H32N4O3/c35-28(32-15-17-37-18-16-32)20-33-25-9-1-2-10-26(25)34(30(33)36)23-11-13-31(14-12-23)27-19-22-7-3-5-21-6-4-8-24(27)29(21)22/h1-10,23,27H,11-20H2
InChIKeyWXWVWHYUWFMSOW-UHFFFAOYSA-N
XLogP3.75
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
The IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one (CID 23063006) is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one.
What is the SMILES notation for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
The canonical SMILES for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one is O=C(Cn1c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21)N1CCOCC1.
What is the InChIKey of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
The InChIKey is WXWVWHYUWFMSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c35-28(32-15-17-37-18-16-32)20-33-25-9-1-2-10-26(25)34(30(33)36)23-11-13-31(14-12-23)27-19-22-7-3-5-21-6-4-8-24(27)29(21)22/h1-10,23,27H,11-20H2.
What are the key properties of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one?
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one has a molecular weight of 496.61 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one is sourced from PubChem (CID 23063006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).