3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide

C18H15F4N3O3 — CID 137453498

IUPAC3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc2ncn(C)c2c1CNC(=O)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C18H15F4N3O3/c1-25-9-24-13-4-6-14(27-2)11(16(13)25)8-23-17(26)10-3-5-15(12(19)7-10)28-18(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyBNVQNZHCIDBCTP-UHFFFAOYSA-N
MW397.33 g/mol
LogP3.55
Rot. Bonds5

About 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide

3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 137453498) has the molecular formula C18H15F4N3O3 and a molecular weight of 397.33 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID137453498
Molecular FormulaC18H15F4N3O3
Molecular Weight397.33 g/mol
Exact Mass397.10
IUPAC Name3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1ccc2ncn(C)c2c1CNC(=O)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C18H15F4N3O3/c1-25-9-24-13-4-6-14(27-2)11(16(13)25)8-23-17(26)10-3-5-15(12(19)7-10)28-18(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)
InChIKeyBNVQNZHCIDBCTP-UHFFFAOYSA-N
XLogP3.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 139532938
3-fluoro-N-[(3-methylbenzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 146590814
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103884841
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 137453498) is 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide is COc1ccc2ncn(C)c2c1CNC(=O)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is BNVQNZHCIDBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O3/c1-25-9-24-13-4-6-14(27-2)11(16(13)25)8-23-17(26)10-3-5-15(12(19)7-10)28-18(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26).
What are the key properties of 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide?
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 397.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 137453498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).