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

C23H26N4O2 — CID 43910024

IUPACN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H26N4O2/c1-18-24-9-10-27(18)22-8-3-2-6-21(22)16-25-23(28)20-7-4-5-19(15-20)17-26-11-13-29-14-12-26/h2-10,15H,11-14,16-17H2,1H3,(H,25,28)
InChIKeyOUMQCTGNCPCHET-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.94
Rot. Bonds6

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

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 43910024) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID43910024
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H26N4O2/c1-18-24-9-10-27(18)22-8-3-2-6-21(22)16-25-23(28)20-7-4-5-19(15-20)17-26-11-13-29-14-12-26/h2-10,15H,11-14,16-17H2,1H3,(H,25,28)
InChIKeyOUMQCTGNCPCHET-UHFFFAOYSA-N
XLogP2.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 166212710
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28631742
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
3-(azepan-1-ylsulfonyl)-4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 38008845
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
CID 126452651
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N-ethyl-3-[[[N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111374839

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide (CID 43910024) is N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide is Cc1nccn1-c1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is OUMQCTGNCPCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-24-9-10-27(18)22-8-3-2-6-21(22)16-25-23(28)20-7-4-5-19(15-20)17-26-11-13-29-14-12-26/h2-10,15H,11-14,16-17H2,1H3,(H,25,28).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 43910024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).