2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide

C28H23N5O2 — CID 134132923

IUPAC2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
SMILESCn1cnc(CC(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)c1
InChIInChI=1S/C28H23N5O2/c1-33-17-23(29-18-33)16-27(34)30-22-9-5-8-20(14-22)28(35)21-11-12-24-25(31-32-26(24)15-21)13-10-19-6-3-2-4-7-19/h2-15,17-18H,16H2,1H3,(H,30,34)(H,31,32)/b13-10+
InChIKeyDHQDFDGCABXSMZ-JLHYYAGUSA-N
MW461.53 g/mol
LogP4.88
Rot. Bonds7

About 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide

2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide (PubChem CID 134132923) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
PubChem CID134132923
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
SMILESCn1cnc(CC(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)c1
InChIInChI=1S/C28H23N5O2/c1-33-17-23(29-18-33)16-27(34)30-22-9-5-8-20(14-22)28(35)21-11-12-24-25(31-32-26(24)15-21)13-10-19-6-3-2-4-7-19/h2-15,17-18H,16H2,1H3,(H,30,34)(H,31,32)/b13-10+
InChIKeyDHQDFDGCABXSMZ-JLHYYAGUSA-N
XLogP4.88
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide (CID 134132923) is 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide is Cn1cnc(CC(=O)Nc2cccc(C(=O)c3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)c1.
What is the InChIKey of 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The InChIKey is DHQDFDGCABXSMZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-33-17-23(29-18-33)16-27(34)30-22-9-5-8-20(14-22)28(35)21-11-12-24-25(31-32-26(24)15-21)13-10-19-6-3-2-4-7-19/h2-15,17-18H,16H2,1H3,(H,30,34)(H,31,32)/b13-10+.
What are the key properties of 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide has a molecular weight of 461.53 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide is sourced from PubChem (CID 134132923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).