N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide

C19H18F3N3O — CID 50844722

IUPACN-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCCn1cnc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H18F3N3O/c1-2-9-25-12-24-16-10-13(3-8-17(16)25)11-23-18(26)14-4-6-15(7-5-14)19(20,21)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,26)
InChIKeyBWIZAPOVGSQEFI-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.40
Rot. Bonds5

About N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide

N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 50844722) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID50844722
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCCn1cnc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C19H18F3N3O/c1-2-9-25-12-24-16-10-13(3-8-17(16)25)11-23-18(26)14-4-6-15(7-5-14)19(20,21)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,26)
InChIKeyBWIZAPOVGSQEFI-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylbenzimidazol-5-yl)methyl]thiophene-3-carboxamide
CID 50844685
N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 50844690
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127042123
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
1-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20975005
1-(1-ethylbenzimidazol-5-yl)-N-methylmethanamine
CID 82490893

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide (CID 50844722) is N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide is CCCn1cnc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BWIZAPOVGSQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-2-9-25-12-24-16-10-13(3-8-17(16)25)11-23-18(26)14-4-6-15(7-5-14)19(20,21)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,26).
What are the key properties of N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 361.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylbenzimidazol-5-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 50844722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).