4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide

C24H24N4O2 — CID 86879111

IUPAC4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccc(-n3ccnc3)cc2)Cc2ccco2)cc1
InChIInChI=1S/C24H24N4O2/c1-25-24(29)21-8-4-19(5-9-21)15-27(17-23-3-2-14-30-23)16-20-6-10-22(11-7-20)28-13-12-26-18-28/h2-14,18H,15-17H2,1H3,(H,25,29)
InChIKeyNGPDBXSNMDWQQF-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.03
Rot. Bonds8

About 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide

4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide (PubChem CID 86879111) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
PubChem CID86879111
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccc(-n3ccnc3)cc2)Cc2ccco2)cc1
InChIInChI=1S/C24H24N4O2/c1-25-24(29)21-8-4-19(5-9-21)15-27(17-23-3-2-14-30-23)16-20-6-10-22(11-7-20)28-13-12-26-18-28/h2-14,18H,15-17H2,1H3,(H,25,29)
InChIKeyNGPDBXSNMDWQQF-UHFFFAOYSA-N
XLogP4.03
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
4-[[furan-2-ylmethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-N-methylbenzamide
CID 34214609
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
4-[[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 86936719
4-[[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 46594499
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 43905426
4-[[furan-2-ylmethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 30869878
3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 35799098
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
ethyl (E)-3-[4-[[2-[furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]phenyl]prop-2-enoate
CID 30798209

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide (CID 86879111) is 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(Cc2ccc(-n3ccnc3)cc2)Cc2ccco2)cc1.
What is the InChIKey of 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide?
The InChIKey is NGPDBXSNMDWQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-25-24(29)21-8-4-19(5-9-21)15-27(17-23-3-2-14-30-23)16-20-6-10-22(11-7-20)28-13-12-26-18-28/h2-14,18H,15-17H2,1H3,(H,25,29).
What are the key properties of 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide?
4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 86879111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).