N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide

C24H22FN3O3 — CID 4753708

IUPACN-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2F)cc1OC
InChIInChI=1S/C24H22FN3O3/c1-30-21-12-11-16(13-22(21)31-2)24(29)26-14-23-27-19-9-5-6-10-20(19)28(23)15-17-7-3-4-8-18(17)25/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyGRDNJCIILXNVFU-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.17
Rot. Bonds7

About N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide

N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 4753708) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID4753708
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2F)cc1OC
InChIInChI=1S/C24H22FN3O3/c1-30-21-12-11-16(13-22(21)31-2)24(29)26-14-23-27-19-9-5-6-10-20(19)28(23)15-17-7-3-4-8-18(17)25/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyGRDNJCIILXNVFU-UHFFFAOYSA-N
XLogP4.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide (CID 4753708) is N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2F)cc1OC.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is GRDNJCIILXNVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-30-21-12-11-16(13-22(21)31-2)24(29)26-14-23-27-19-9-5-6-10-20(19)28(23)15-17-7-3-4-8-18(17)25/h3-13H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 419.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4753708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).