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

C23H28N4O3 — CID 42819426

IUPACN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCc1ccccc1Cn1ccnc1CN(CCN1CCOCC1)C(=O)c1ccco1
InChIInChI=1S/C23H28N4O3/c1-19-5-2-3-6-20(19)17-26-9-8-24-22(26)18-27(23(28)21-7-4-14-30-21)11-10-25-12-15-29-16-13-25/h2-9,14H,10-13,15-18H2,1H3
InChIKeyGDSXOBSRJSUYHC-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.81
Rot. Bonds8

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

N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 42819426) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID42819426
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCc1ccccc1Cn1ccnc1CN(CCN1CCOCC1)C(=O)c1ccco1
InChIInChI=1S/C23H28N4O3/c1-19-5-2-3-6-20(19)17-26-9-8-24-22(26)18-27(23(28)21-7-4-14-30-21)11-10-25-12-15-29-16-13-25/h2-9,14H,10-13,15-18H2,1H3
InChIKeyGDSXOBSRJSUYHC-UHFFFAOYSA-N
XLogP2.81
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42819456
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42819288
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42819064
N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105
N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 42819993
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819336
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 N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 42819426) is N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is Cc1ccccc1Cn1ccnc1CN(CCN1CCOCC1)C(=O)c1ccco1.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is GDSXOBSRJSUYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-19-5-2-3-6-20(19)17-26-9-8-24-22(26)18-27(23(28)21-7-4-14-30-21)11-10-25-12-15-29-16-13-25/h2-9,14H,10-13,15-18H2,1H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 42819426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).