N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide

C15H10F3N3O — CID 110785475

IUPACN-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3N3O/c16-10-3-2-9(13(17)14(10)18)15(22)19-6-8-1-4-11-12(5-8)21-7-20-11/h1-5,7H,6H2,(H,19,22)(H,20,21)
InChIKeyFWWRVHFEBYTQEX-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.91
Rot. Bonds3

About N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide

N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide (PubChem CID 110785475) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide
PubChem CID110785475
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H10F3N3O/c16-10-3-2-9(13(17)14(10)18)15(22)19-6-8-1-4-11-12(5-8)21-7-20-11/h1-5,7H,6H2,(H,19,22)(H,20,21)
InChIKeyFWWRVHFEBYTQEX-UHFFFAOYSA-N
XLogP2.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide (CID 110785475) is N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide is O=C(NCc1ccc2nc[nH]c2c1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide?
The InChIKey is FWWRVHFEBYTQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-10-3-2-9(13(17)14(10)18)15(22)19-6-8-1-4-11-12(5-8)21-7-20-11/h1-5,7H,6H2,(H,19,22)(H,20,21).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide?
N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide has a molecular weight of 305.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110785475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).