1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C10H14F2N2 — CID 116626683

IUPAC1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CC(F)F)CCCC2
InChIInChI=1S/C10H14F2N2/c1-7-13-8-4-2-3-5-9(8)14(7)6-10(11)12/h10H,2-6H2,1H3
InChIKeyQCHUCQFRDGRZKM-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.34
Rot. Bonds2

About 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626683) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626683
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CC(F)F)CCCC2
InChIInChI=1S/C10H14F2N2/c1-7-13-8-4-2-3-5-9(8)14(7)6-10(11)12/h10H,2-6H2,1H3
InChIKeyQCHUCQFRDGRZKM-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626683) is 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1CC(F)F)CCCC2.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is QCHUCQFRDGRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-7-13-8-4-2-3-5-9(8)14(7)6-10(11)12/h10H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 200.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).