4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C26H32N4O2 — CID 42819996

IUPAC4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(Cn2ccnc2CN(CCN2CCOCC2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H32N4O2/c1-21-3-7-23(8-4-21)19-29-12-11-27-25(29)20-30(14-13-28-15-17-32-18-16-28)26(31)24-9-5-22(2)6-10-24/h3-12H,13-20H2,1-2H3
InChIKeyPEQUGAOIIAGXSW-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.52
Rot. Bonds8

About 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42819996) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42819996
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(Cn2ccnc2CN(CCN2CCOCC2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H32N4O2/c1-21-3-7-23(8-4-21)19-29-12-11-27-25(29)20-30(14-13-28-15-17-32-18-16-28)26(31)24-9-5-22(2)6-10-24/h3-12H,13-20H2,1-2H3
InChIKeyPEQUGAOIIAGXSW-UHFFFAOYSA-N
XLogP3.52
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 42819993
3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819336
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42819335
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42819288
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42819426
2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
CID 42819529
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42819064
1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 42819707

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42819996) is 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(Cn2ccnc2CN(CCN2CCOCC2)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is PEQUGAOIIAGXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-21-3-7-23(8-4-21)19-29-12-11-27-25(29)20-30(14-13-28-15-17-32-18-16-28)26(31)24-9-5-22(2)6-10-24/h3-12H,13-20H2,1-2H3.
What are the key properties of 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 432.57 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42819996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).