2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide

C25H23FN4O2 — CID 42825352

IUPAC2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CNCc3ccccc3)n2)cc1
InChIInChI=1S/C25H23FN4O2/c1-32-22-13-7-19(8-14-22)23-17-30(21-11-9-20(26)10-12-21)25(28-23)29-24(31)16-27-15-18-5-3-2-4-6-18/h2-14,17,27H,15-16H2,1H3,(H,28,29,31)
InChIKeyLCBJQOBLYCYSNS-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.42
Rot. Bonds8

About 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide

2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide (PubChem CID 42825352) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
PubChem CID42825352
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CNCc3ccccc3)n2)cc1
InChIInChI=1S/C25H23FN4O2/c1-32-22-13-7-19(8-14-22)23-17-30(21-11-9-20(26)10-12-21)25(28-23)29-24(31)16-27-15-18-5-3-2-4-6-18/h2-14,17,27H,15-16H2,1H3,(H,28,29,31)
InChIKeyLCBJQOBLYCYSNS-UHFFFAOYSA-N
XLogP4.42
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825347
2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42825393
N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]-2-(prop-2-enylamino)acetamide
CID 42825343
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 42828402
N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42828389
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42828379
N-[2-[[4-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42825596
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 42828399
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42828372
2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfonyl-N-phenylacetamide
CID 22423019
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42826365

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide (CID 42825352) is 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CNCc3ccccc3)n2)cc1.
What is the InChIKey of 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
The InChIKey is LCBJQOBLYCYSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-32-22-13-7-19(8-14-22)23-17-30(21-11-9-20(26)10-12-21)25(28-23)29-24(31)16-27-15-18-5-3-2-4-6-18/h2-14,17,27H,15-16H2,1H3,(H,28,29,31).
What are the key properties of 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide?
2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 42825352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).