N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide

C17H13BrF3N3O — CID 147075477

IUPACN-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cccc(-n2cnc3cc(Br)ccc32)c1
InChIInChI=1S/C17H13BrF3N3O/c18-11-4-5-15-14(8-11)22-10-24(15)13-3-1-2-12(9-13)23-16(25)6-7-17(19,20)21/h1-5,8-10H,6-7H2,(H,23,25)
InChIKeyBFWLRDUBYTYKDX-UHFFFAOYSA-N
MW412.21 g/mol
LogP5.07
Rot. Bonds4

About N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide

N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide (PubChem CID 147075477) has the molecular formula C17H13BrF3N3O and a molecular weight of 412.21 g/mol. Its IUPAC name is N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide
PubChem CID147075477
Molecular FormulaC17H13BrF3N3O
Molecular Weight412.21 g/mol
Exact Mass411.02
IUPAC NameN-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cccc(-n2cnc3cc(Br)ccc32)c1
InChIInChI=1S/C17H13BrF3N3O/c18-11-4-5-15-14(8-11)22-10-24(15)13-3-1-2-12(9-13)23-16(25)6-7-17(19,20)21/h1-5,8-10H,6-7H2,(H,23,25)
InChIKeyBFWLRDUBYTYKDX-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.21
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-[1-[3-(4,4,4-trifluorobutanoylamino)phenyl]benzimidazol-5-yl]benzamide
CID 147423324
1-[3-[5-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 68595951
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide
CID 141389788
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67021639
[1-(3-bromophenyl)benzimidazol-5-yl]methanol
CID 54564593
N-[3-[5-(trifluoromethyl)benzimidazol-1-yl]phenyl]formamide
CID 54189949
N-(pyridin-3-ylmethyl)-3-[1-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]benzimidazol-5-yl]benzamide
CID 57386158

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide (CID 147075477) is N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1cccc(-n2cnc3cc(Br)ccc32)c1.
What is the InChIKey of N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide?
The InChIKey is BFWLRDUBYTYKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3O/c18-11-4-5-15-14(8-11)22-10-24(15)13-3-1-2-12(9-13)23-16(25)6-7-17(19,20)21/h1-5,8-10H,6-7H2,(H,23,25).
What are the key properties of N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide?
N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide has a molecular weight of 412.21 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromobenzimidazol-1-yl)phenyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 147075477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).