2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole

C15H19F3N2 — CID 46310677

IUPAC2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(C)CC)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H19F3N2/c1-4-8-20-13-7-6-11(15(16,17)18)9-12(13)19-14(20)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOLBSMVSYFOLRIC-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.98
Rot. Bonds4

About 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole

2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310677) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
PubChem CID46310677
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(C)CC)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H19F3N2/c1-4-8-20-13-7-6-11(15(16,17)18)9-12(13)19-14(20)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyOLBSMVSYFOLRIC-UHFFFAOYSA-N
XLogP4.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-butan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308378
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
2-[phenyl(phenylsulfanyl)methyl]-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310697
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152
1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
CID 46310827
1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308238
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]butan-1-amine
CID 81456011
2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310701
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole (CID 46310677) is 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole is CCCn1c(C(C)CC)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is OLBSMVSYFOLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-4-8-20-13-7-6-11(15(16,17)18)9-12(13)19-14(20)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole?
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 284.32 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).