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

C9H12F2N2 — CID 116626570

IUPAC1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1C(F)F)CCCC2
InChIInChI=1S/C9H12F2N2/c1-6-12-7-4-2-3-5-8(7)13(6)9(10)11/h9H,2-5H2,1H3
InChIKeyIQNFRXWTYHHBNE-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.47
Rot. Bonds1

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

1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626570) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626570
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1C(F)F)CCCC2
InChIInChI=1S/C9H12F2N2/c1-6-12-7-4-2-3-5-8(7)13(6)9(10)11/h9H,2-5H2,1H3
InChIKeyIQNFRXWTYHHBNE-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626570) is 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1C(F)F)CCCC2.
What is the InChIKey of 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is IQNFRXWTYHHBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-6-12-7-4-2-3-5-8(7)13(6)9(10)11/h9H,2-5H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 186.20 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).