N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

C32H27FN4O2 — CID 46144490

IUPACN-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H27FN4O2/c1-23-12-14-26(15-13-23)31(39)36(20-24-8-4-2-5-9-24)22-30(38)35-32-34-29(25-10-6-3-7-11-25)21-37(32)28-18-16-27(33)17-19-28/h2-19,21H,20,22H2,1H3,(H,34,35,38)
InChIKeyZFIDVCZBSGETOR-UHFFFAOYSA-N
MW518.59 g/mol
LogP6.27
Rot. Bonds8

About N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 46144490) has the molecular formula C32H27FN4O2 and a molecular weight of 518.59 g/mol. Its IUPAC name is N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID46144490
Molecular FormulaC32H27FN4O2
Molecular Weight518.59 g/mol
Exact Mass518.21
IUPAC NameN-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H27FN4O2/c1-23-12-14-26(15-13-23)31(39)36(20-24-8-4-2-5-9-24)22-30(38)35-32-34-29(25-10-6-3-7-11-25)21-37(32)28-18-16-27(33)17-19-28/h2-19,21H,20,22H2,1H3,(H,34,35,38)
InChIKeyZFIDVCZBSGETOR-UHFFFAOYSA-N
XLogP6.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.59
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide (CID 46144490) is N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is ZFIDVCZBSGETOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN4O2/c1-23-12-14-26(15-13-23)31(39)36(20-24-8-4-2-5-9-24)22-30(38)35-32-34-29(25-10-6-3-7-11-25)21-37(32)28-18-16-27(33)17-19-28/h2-19,21H,20,22H2,1H3,(H,34,35,38).
What are the key properties of N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide?
N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 518.59 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46144490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).