1-butyl-2-(trifluoromethyl)benzimidazole

C12H13F3N2 — CID 3746789

IUPAC1-butyl-2-(trifluoromethyl)benzimidazole
SMILESCCCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C12H13F3N2/c1-2-3-8-17-10-7-5-4-6-9(10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3
InChIKeyXBHVXORLBUPCQJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.86
Rot. Bonds3

About 1-butyl-2-(trifluoromethyl)benzimidazole

1-butyl-2-(trifluoromethyl)benzimidazole (PubChem CID 3746789) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-butyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-butyl-2-(trifluoromethyl)benzimidazole
PubChem CID3746789
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name1-butyl-2-(trifluoromethyl)benzimidazole
SMILESCCCCn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C12H13F3N2/c1-2-3-8-17-10-7-5-4-6-9(10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3
InChIKeyXBHVXORLBUPCQJ-UHFFFAOYSA-N
XLogP3.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
methyl-[4-[2-(trifluoromethyl)benzimidazol-1-yl]butyl]borinic acid
CID 70965481
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(trifluoromethyl)benzimidazole
CID 16996825
1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134082335
1-butyl-2-[5-(1-butylbenzimidazol-2-yl)pyrazin-2-yl]benzimidazole
CID 102420307
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996795
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-butyl-2-(trifluoromethyl)benzimidazole (CID 3746789) is 1-butyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-butyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-butyl-2-(trifluoromethyl)benzimidazole is CCCCn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 1-butyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is XBHVXORLBUPCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-2-3-8-17-10-7-5-4-6-9(10)16-11(17)12(13,14)15/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-butyl-2-(trifluoromethyl)benzimidazole?
1-butyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 242.24 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 3746789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).