N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide

C22H25N5O2 — CID 56759548

IUPACN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide
SMILESCc1ccc(-c2nc(CNC(=O)CC3CNCCO3)[nH]c2-c2ccccn2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-5-7-16(8-6-15)21-22(18-4-2-3-9-24-18)27-19(26-21)14-25-20(28)12-17-13-23-10-11-29-17/h2-9,17,23H,10-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyRXBIYGCOXVGKFC-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.44
Rot. Bonds6

About N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide

N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide (PubChem CID 56759548) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide
PubChem CID56759548
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide
SMILESCc1ccc(-c2nc(CNC(=O)CC3CNCCO3)[nH]c2-c2ccccn2)cc1
InChIInChI=1S/C22H25N5O2/c1-15-5-7-16(8-6-15)21-22(18-4-2-3-9-24-18)27-19(26-21)14-25-20(28)12-17-13-23-10-11-29-17/h2-9,17,23H,10-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyRXBIYGCOXVGKFC-UHFFFAOYSA-N
XLogP2.44
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide (CID 56759548) is N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide is Cc1ccc(-c2nc(CNC(=O)CC3CNCCO3)[nH]c2-c2ccccn2)cc1.
What is the InChIKey of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide?
The InChIKey is RXBIYGCOXVGKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-5-7-16(8-6-15)21-22(18-4-2-3-9-24-18)27-19(26-21)14-25-20(28)12-17-13-23-10-11-29-17/h2-9,17,23H,10-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide?
N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide has a molecular weight of 391.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 56759548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).