N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide

C24H26FN5O4 — CID 42170850

IUPACN-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCN(C(C)=O)CC2)c2c(c1)ncn2Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN5O4/c1-16(31)28-7-9-29(10-8-28)24(33)20-11-19(27-22(32)14-34-2)12-21-23(20)30(15-26-21)13-17-3-5-18(25)6-4-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,27,32)
InChIKeyRLFXBFADZMFSBM-UHFFFAOYSA-N
MW467.50 g/mol
LogP2.11
Rot. Bonds6

About N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide

N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide (PubChem CID 42170850) has the molecular formula C24H26FN5O4 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide
PubChem CID42170850
Molecular FormulaC24H26FN5O4
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC NameN-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCN(C(C)=O)CC2)c2c(c1)ncn2Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN5O4/c1-16(31)28-7-9-29(10-8-28)24(33)20-11-19(27-22(32)14-34-2)12-21-23(20)30(15-26-21)13-17-3-5-18(25)6-4-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,27,32)
InChIKeyRLFXBFADZMFSBM-UHFFFAOYSA-N
XLogP2.11
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide (CID 42170850) is N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide is COCC(=O)Nc1cc(C(=O)N2CCN(C(C)=O)CC2)c2c(c1)ncn2Cc1ccc(F)cc1.
What is the InChIKey of N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide?
The InChIKey is RLFXBFADZMFSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4/c1-16(31)28-7-9-29(10-8-28)24(33)20-11-19(27-22(32)14-34-2)12-21-23(20)30(15-26-21)13-17-3-5-18(25)6-4-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,27,32).
What are the key properties of N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide?
N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide has a molecular weight of 467.50 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-acetylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 42170850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).