N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide

C25H29FN4O4 — CID 45173692

IUPACN-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCCC(COC)C2)c2c(c1)ncn2Cc1ccc(F)cc1
InChIInChI=1S/C25H29FN4O4/c1-33-14-18-4-3-9-29(13-18)25(32)21-10-20(28-23(31)15-34-2)11-22-24(21)30(16-27-22)12-17-5-7-19(26)8-6-17/h5-8,10-11,16,18H,3-4,9,12-15H2,1-2H3,(H,28,31)
InChIKeyRXRZNSDAMZYSFO-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.31
Rot. Bonds8

About N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide

N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide (PubChem CID 45173692) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
PubChem CID45173692
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCCC(COC)C2)c2c(c1)ncn2Cc1ccc(F)cc1
InChIInChI=1S/C25H29FN4O4/c1-33-14-18-4-3-9-29(13-18)25(32)21-10-20(28-23(31)15-34-2)11-22-24(21)30(16-27-22)12-17-5-7-19(26)8-6-17/h5-8,10-11,16,18H,3-4,9,12-15H2,1-2H3,(H,28,31)
InChIKeyRXRZNSDAMZYSFO-UHFFFAOYSA-N
XLogP3.31
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide (CID 45173692) is N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide is COCC(=O)Nc1cc(C(=O)N2CCCC(COC)C2)c2c(c1)ncn2Cc1ccc(F)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
The InChIKey is RXRZNSDAMZYSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-33-14-18-4-3-9-29(13-18)25(32)21-10-20(28-23(31)15-34-2)11-22-24(21)30(16-27-22)12-17-5-7-19(26)8-6-17/h5-8,10-11,16,18H,3-4,9,12-15H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide?
N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide has a molecular weight of 468.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-7-[3-(methoxymethyl)piperidine-1-carbonyl]benzimidazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 45173692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).