1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione

C24H29N5O2 — CID 178141522

IUPAC1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCn1c(N2CCC(=O)NC2=O)cnc1-c1ccc2c(c1)CN(CC1CC3(CCC3)C1)C2
InChIInChI=1S/C24H29N5O2/c1-27-21(29-8-5-20(30)26-23(29)31)12-25-22(27)17-3-4-18-14-28(15-19(18)9-17)13-16-10-24(11-16)6-2-7-24/h3-4,9,12,16H,2,5-8,10-11,13-15H2,1H3,(H,26,30,31)
InChIKeyTXJFIGZYVLXCMN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.43
Rot. Bonds4

About 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione

1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 178141522) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID178141522
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCn1c(N2CCC(=O)NC2=O)cnc1-c1ccc2c(c1)CN(CC1CC3(CCC3)C1)C2
InChIInChI=1S/C24H29N5O2/c1-27-21(29-8-5-20(30)26-23(29)31)12-25-22(27)17-3-4-18-14-28(15-19(18)9-17)13-16-10-24(11-16)6-2-7-24/h3-4,9,12,16H,2,5-8,10-11,13-15H2,1H3,(H,26,30,31)
InChIKeyTXJFIGZYVLXCMN-UHFFFAOYSA-N
XLogP3.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[2-[2-[[4-(1-cyclopentylethenyl)phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141356
1-[3-methyl-2-[2-[[4-(2-methylcyclohexyl)oxyphenyl]methyl]-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141224
1-[2-[2-[[4-[(5-chloro-2-fluorophenyl)methyl]phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141922
1-[2-[2-[[4-[(2-chloro-6-fluorophenyl)methyl]phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141982
1-[2-[2-[[4-[(2-bromo-6-fluorophenyl)methoxy]phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178142548
1-[2-[2-[[4-[(2-fluoro-6-methylphenyl)methoxy]-2-methylphenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141855
1-[2-[2-[[4-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyphenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178142465
1-[2-[2-[[4-amino-2-(2-chloro-4,6-difluorophenoxy)pyrimidin-5-yl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141153
N-[1-amino-2-(2-chlorophenoxy)ethylidene]-2-[5-[5-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylimidazol-2-yl]-1,3-dihydroisoindol-2-yl]ethanimidamide
CID 178142324
1-[2-[2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylphenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141182
1-[2-[2-[[4-[(E)-2-ethenyl-3-fluoropent-2-enyl]phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-4-ethylidene-1,3-diazinan-2-one
CID 178141490
1-[2-[6-[(4-cyclohexyloxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141958

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione (CID 178141522) is 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione is Cn1c(N2CCC(=O)NC2=O)cnc1-c1ccc2c(c1)CN(CC1CC3(CCC3)C1)C2.
What is the InChIKey of 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is TXJFIGZYVLXCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-27-21(29-8-5-20(30)26-23(29)31)12-25-22(27)17-3-4-18-14-28(15-19(18)9-17)13-16-10-24(11-16)6-2-7-24/h3-4,9,12,16H,2,5-8,10-11,13-15H2,1H3,(H,26,30,31).
What are the key properties of 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione?
1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 419.53 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178141522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).