3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione

C25H24N4O2 — CID 175965763

IUPAC3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
SMILESC=c1[nH]c(=O)c(=Cc2ncn(Cc3ccc(-c4ccccc4)cc3)c2C(C)C)[nH]c1=O
InChIInChI=1S/C25H24N4O2/c1-16(2)23-21(13-22-25(31)27-17(3)24(30)28-22)26-15-29(23)14-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-13,15-16H,3,14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyHHPNOTZYOSGFKR-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.34
Rot. Bonds5

About 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione

3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione (PubChem CID 175965763) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
PubChem CID175965763
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione
SMILESC=c1[nH]c(=O)c(=Cc2ncn(Cc3ccc(-c4ccccc4)cc3)c2C(C)C)[nH]c1=O
InChIInChI=1S/C25H24N4O2/c1-16(2)23-21(13-22-25(31)27-17(3)24(30)28-22)26-15-29(23)14-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-13,15-16H,3,14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyHHPNOTZYOSGFKR-UHFFFAOYSA-N
XLogP2.34
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
The IUPAC name of 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione (CID 175965763) is 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
The canonical SMILES for 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione is C=c1[nH]c(=O)c(=Cc2ncn(Cc3ccc(-c4ccccc4)cc3)c2C(C)C)[nH]c1=O.
What is the InChIKey of 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
The InChIKey is HHPNOTZYOSGFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16(2)23-21(13-22-25(31)27-17(3)24(30)28-22)26-15-29(23)14-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-13,15-16H,3,14H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione?
3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-6-[[1-[(4-phenylphenyl)methyl]-5-propan-2-ylimidazol-4-yl]methylidene]piperazine-2,5-dione is sourced from PubChem (CID 175965763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).