2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide

C20H19N5O — CID 134376861

IUPAC2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide
SMILESNC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H19N5O/c21-20(26)10-19-18(9-14-4-2-1-3-5-14)22-13-25(19)12-15-6-7-17-16(8-15)11-23-24-17/h1-8,11,13H,9-10,12H2,(H2,21,26)(H,23,24)
InChIKeyKGJSBSYUFXXWCY-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.43
Rot. Bonds6

About 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide

2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide (PubChem CID 134376861) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide
PubChem CID134376861
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide
SMILESNC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H19N5O/c21-20(26)10-19-18(9-14-4-2-1-3-5-14)22-13-25(19)12-15-6-7-17-16(8-15)11-23-24-17/h1-8,11,13H,9-10,12H2,(H2,21,26)(H,23,24)
InChIKeyKGJSBSYUFXXWCY-UHFFFAOYSA-N
XLogP2.43
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide?
The IUPAC name of 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide (CID 134376861) is 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide?
The canonical SMILES for 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide is NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide?
The InChIKey is KGJSBSYUFXXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-20(26)10-19-18(9-14-4-2-1-3-5-14)22-13-25(19)12-15-6-7-17-16(8-15)11-23-24-17/h1-8,11,13H,9-10,12H2,(H2,21,26)(H,23,24).
What are the key properties of 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide?
2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide is sourced from PubChem (CID 134376861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).