N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide

C21H24N4O — CID 50956239

IUPACN-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide
SMILESCc1cccc(-c2c(-c3ccccc3)ncn2CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C21H24N4O/c1-15-9-8-12-17(23-15)20-19(16-10-6-5-7-11-16)22-14-25(20)13-18(26)24-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeyGKQQEQLKKOTWHK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.84
Rot. Bonds4

About N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide

N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide (PubChem CID 50956239) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide
PubChem CID50956239
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide
SMILESCc1cccc(-c2c(-c3ccccc3)ncn2CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C21H24N4O/c1-15-9-8-12-17(23-15)20-19(16-10-6-5-7-11-16)22-14-25(20)13-18(26)24-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,24,26)
InChIKeyGKQQEQLKKOTWHK-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide (CID 50956239) is N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide is Cc1cccc(-c2c(-c3ccccc3)ncn2CC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide?
The InChIKey is GKQQEQLKKOTWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-9-8-12-17(23-15)20-19(16-10-6-5-7-11-16)22-14-25(20)13-18(26)24-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,24,26).
What are the key properties of N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide?
N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(6-methyl-2-pyridinyl)-4-phenylimidazol-1-yl]acetamide is sourced from PubChem (CID 50956239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).