1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole

C11H13F3N2 — CID 146593814

IUPAC1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole
SMILESCCCn1cnc2c1=CC(C(F)(F)F)CC=2
InChIInChI=1S/C11H13F3N2/c1-2-5-16-7-15-9-4-3-8(6-10(9)16)11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyNQUKWQYCQSKWNP-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.44
Rot. Bonds2

About 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole

1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole (PubChem CID 146593814) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole
PubChem CID146593814
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole
SMILESCCCn1cnc2c1=CC(C(F)(F)F)CC=2
InChIInChI=1S/C11H13F3N2/c1-2-5-16-7-15-9-4-3-8(6-10(9)16)11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyNQUKWQYCQSKWNP-UHFFFAOYSA-N
XLogP1.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole?
The IUPAC name of 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole (CID 146593814) is 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole.
What is the SMILES notation for 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole?
The canonical SMILES for 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole is CCCn1cnc2c1=CC(C(F)(F)F)CC=2.
What is the InChIKey of 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole?
The InChIKey is NQUKWQYCQSKWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-2-5-16-7-15-9-4-3-8(6-10(9)16)11(12,13)14/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole?
1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole has a molecular weight of 230.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole is sourced from PubChem (CID 146593814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).