1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium

C21H20N3OU- — CID 156649761

IUPAC1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium
SMILESO=C1N(Cc2nc3ccccc3[n-]2)c2ccccc2C12CCCCC2.[U]
InChIInChI=1S/C21H20N3O.U/c25-20-21(12-6-1-7-13-21)15-8-2-5-11-18(15)24(20)14-19-22-16-9-3-4-10-17(16)23-19;/h2-5,8-11H,1,6-7,12-14H2;/q-1;
InChIKeyATJVQDDHWLJERX-UHFFFAOYSA-N
MW568.44 g/mol
LogP3.94
Rot. Bonds2

About 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium

1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium (PubChem CID 156649761) has the molecular formula C21H20N3OU- and a molecular weight of 568.44 g/mol. Its IUPAC name is 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium.

Molecular Properties

Compound Name1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium
PubChem CID156649761
Molecular FormulaC21H20N3OU-
Molecular Weight568.44 g/mol
Exact Mass568.21
IUPAC Name1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium
SMILESO=C1N(Cc2nc3ccccc3[n-]2)c2ccccc2C12CCCCC2.[U]
InChIInChI=1S/C21H20N3O.U/c25-20-21(12-6-1-7-13-21)15-8-2-5-11-18(15)24(20)14-19-22-16-9-3-4-10-17(16)23-19;/h2-5,8-11H,1,6-7,12-14H2;/q-1;
InChIKeyATJVQDDHWLJERX-UHFFFAOYSA-N
XLogP3.94
TPSA47.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-methoxyspiro[cyclohexane-1,3'-indole]-2'-one;hydrochloride
CID 141172318
1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
CID 54487789
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157033735
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 155972674
2-(1',3'-dioxospiro[cyclopentane-1,4'-isoquinoline]-2'-yl)acetonitrile
CID 22763131
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914640
1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904617
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659

Frequently Asked Questions

What is the IUPAC name of 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium?
The IUPAC name of 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium (CID 156649761) is 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium.
What is the SMILES notation for 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium?
The canonical SMILES for 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium is O=C1N(Cc2nc3ccccc3[n-]2)c2ccccc2C12CCCCC2.[U].
What is the InChIKey of 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium?
The InChIKey is ATJVQDDHWLJERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N3O.U/c25-20-21(12-6-1-7-13-21)15-8-2-5-11-18(15)24(20)14-19-22-16-9-3-4-10-17(16)23-19;/h2-5,8-11H,1,6-7,12-14H2;/q-1;.
What are the key properties of 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium?
1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium has a molecular weight of 568.44 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzimidazol-1-id-2-ylmethyl)spiro[cyclohexane-1,3'-indole]-2'-one;uranium is sourced from PubChem (CID 156649761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).