N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide

C24H22FN3O2 — CID 4753643

IUPACN-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C24H22FN3O2/c1-16(26-24(29)18-10-4-8-14-22(18)30-2)23-27-20-12-6-7-13-21(20)28(23)15-17-9-3-5-11-19(17)25/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyVPDRFVNEJLZVCY-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.72
Rot. Bonds6

About N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide

N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (PubChem CID 4753643) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
PubChem CID4753643
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C24H22FN3O2/c1-16(26-24(29)18-10-4-8-14-22(18)30-2)23-27-20-12-6-7-13-21(20)28(23)15-17-9-3-5-11-19(17)25/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyVPDRFVNEJLZVCY-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (CID 4753643) is N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The InChIKey is VPDRFVNEJLZVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-16(26-24(29)18-10-4-8-14-22(18)30-2)23-27-20-12-6-7-13-21(20)28(23)15-17-9-3-5-11-19(17)25/h3-14,16H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide has a molecular weight of 403.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 4753643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).