3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide

C25H24FN3O3 — CID 55815444

IUPAC3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1OC
InChIInChI=1S/C25H24FN3O3/c1-31-22-9-5-7-16(25(22)32-2)10-13-24(30)27-18-11-12-20-21(15-18)29-23(28-20)14-17-6-3-4-8-19(17)26/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySCYRKOQBUYKQMC-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.88
Rot. Bonds8

About 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide

3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide (PubChem CID 55815444) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
PubChem CID55815444
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1OC
InChIInChI=1S/C25H24FN3O3/c1-31-22-9-5-7-16(25(22)32-2)10-13-24(30)27-18-11-12-20-21(15-18)29-23(28-20)14-17-6-3-4-8-19(17)26/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySCYRKOQBUYKQMC-UHFFFAOYSA-N
XLogP4.88
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9427530
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CID 9404697
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 52661400
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-methoxy-3-nitrobenzamide
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3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
CID 119859268
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 52661403
3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide
CID 110723729
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55857428
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide (CID 55815444) is 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide is COc1cccc(CCC(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
The InChIKey is SCYRKOQBUYKQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-31-22-9-5-7-16(25(22)32-2)10-13-24(30)27-18-11-12-20-21(15-18)29-23(28-20)14-17-6-3-4-8-19(17)26/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide has a molecular weight of 433.48 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide is sourced from PubChem (CID 55815444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).