N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide

C22H24N4O2 — CID 46974679

IUPACN-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide
SMILESCc1nccn1Cc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H24N4O2/c1-17-23-9-10-26(17)16-18-3-2-4-20(15-18)24-22(27)19-5-7-21(8-6-19)25-11-13-28-14-12-25/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKeyJMMICSRNMZICMZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.33
Rot. Bonds5

About N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide

N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide (PubChem CID 46974679) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide
PubChem CID46974679
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide
SMILESCc1nccn1Cc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H24N4O2/c1-17-23-9-10-26(17)16-18-3-2-4-20(15-18)24-22(27)19-5-7-21(8-6-19)25-11-13-28-14-12-25/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKeyJMMICSRNMZICMZ-UHFFFAOYSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-3-methylpyrazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 46974322
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 166241451
(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97218717
2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
CID 55857928
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638692
3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 46974809

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide (CID 46974679) is N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide is Cc1nccn1Cc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide?
The InChIKey is JMMICSRNMZICMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-23-9-10-26(17)16-18-3-2-4-20(15-18)24-22(27)19-5-7-21(8-6-19)25-11-13-28-14-12-25/h2-10,15H,11-14,16H2,1H3,(H,24,27).
What are the key properties of N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide?
N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 46974679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).