1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole

C8H10F2N2 — CID 13250070

IUPAC1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)n1cnc2c1CCCC2
InChIInChI=1S/C8H10F2N2/c9-8(10)12-5-11-6-3-1-2-4-7(6)12/h5,8H,1-4H2
InChIKeyBTNQXMKOOORQGE-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.16
Rot. Bonds1

About 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole

1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 13250070) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole
PubChem CID13250070
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)n1cnc2c1CCCC2
InChIInChI=1S/C8H10F2N2/c9-8(10)12-5-11-6-3-1-2-4-7(6)12/h5,8H,1-4H2
InChIKeyBTNQXMKOOORQGE-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole (CID 13250070) is 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole is FC(F)n1cnc2c1CCCC2.
What is the InChIKey of 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is BTNQXMKOOORQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c9-8(10)12-5-11-6-3-1-2-4-7(6)12/h5,8H,1-4H2.
What are the key properties of 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole?
1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 172.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 13250070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).