N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

C29H27FN4O3 — CID 42826432

IUPACN-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CN(CC1CCCO1)C(=O)c1ccccc1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C29H27FN4O3/c30-23-13-15-24(16-14-23)34-19-26(21-8-3-1-4-9-21)31-29(34)32-27(35)20-33(18-25-12-7-17-37-25)28(36)22-10-5-2-6-11-22/h1-6,8-11,13-16,19,25H,7,12,17-18,20H2,(H,31,32,35)
InChIKeyIYBHPOOGUPCAPM-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.94
Rot. Bonds8

About N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide

N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42826432) has the molecular formula C29H27FN4O3 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42826432
Molecular FormulaC29H27FN4O3
Molecular Weight498.56 g/mol
Exact Mass498.21
IUPAC NameN-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CN(CC1CCCO1)C(=O)c1ccccc1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C29H27FN4O3/c30-23-13-15-24(16-14-23)34-19-26(21-8-3-1-4-9-21)31-29(34)32-27(35)20-33(18-25-12-7-17-37-25)28(36)22-10-5-2-6-11-22/h1-6,8-11,13-16,19,25H,7,12,17-18,20H2,(H,31,32,35)
InChIKeyIYBHPOOGUPCAPM-UHFFFAOYSA-N
XLogP4.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 42826432) is N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(CN(CC1CCCO1)C(=O)c1ccccc1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IYBHPOOGUPCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O3/c30-23-13-15-24(16-14-23)34-19-26(21-8-3-1-4-9-21)31-29(34)32-27(35)20-33(18-25-12-7-17-37-25)28(36)22-10-5-2-6-11-22/h1-6,8-11,13-16,19,25H,7,12,17-18,20H2,(H,31,32,35).
What are the key properties of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide?
N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 498.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42826432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).