N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide

C21H21N5O — CID 72885643

IUPACN-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1-c1ccccc1)NCCCn1ncc2ccccc21
InChIInChI=1S/C21H21N5O/c27-20(16-25-14-12-23-21(25)17-7-2-1-3-8-17)22-11-6-13-26-19-10-5-4-9-18(19)15-24-26/h1-5,7-10,12,14-15H,6,11,13,16H2,(H,22,27)
InChIKeyDRPMJCQKUJBKAR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.11
Rot. Bonds7

About N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide

N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide (PubChem CID 72885643) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
PubChem CID72885643
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1-c1ccccc1)NCCCn1ncc2ccccc21
InChIInChI=1S/C21H21N5O/c27-20(16-25-14-12-23-21(25)17-7-2-1-3-8-17)22-11-6-13-26-19-10-5-4-9-18(19)15-24-26/h1-5,7-10,12,14-15H,6,11,13,16H2,(H,22,27)
InChIKeyDRPMJCQKUJBKAR-UHFFFAOYSA-N
XLogP3.11
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide (CID 72885643) is N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide is O=C(Cn1ccnc1-c1ccccc1)NCCCn1ncc2ccccc21.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide?
The InChIKey is DRPMJCQKUJBKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-20(16-25-14-12-23-21(25)17-7-2-1-3-8-17)22-11-6-13-26-19-10-5-4-9-18(19)15-24-26/h1-5,7-10,12,14-15H,6,11,13,16H2,(H,22,27).
What are the key properties of N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide?
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 72885643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).