6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole

C7H8F2N2 — CID 154577697

IUPAC6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole
SMILESFC1(F)CCc2nc[nH]c2C1
InChIInChI=1S/C7H8F2N2/c8-7(9)2-1-5-6(3-7)11-4-10-5/h4H,1-3H2,(H,10,11)
InChIKeyGZDQKILZXWFCPK-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.53
Rot. Bonds

About 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole

6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole (PubChem CID 154577697) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole
PubChem CID154577697
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole
SMILESFC1(F)CCc2nc[nH]c2C1
InChIInChI=1S/C7H8F2N2/c8-7(9)2-1-5-6(3-7)11-4-10-5/h4H,1-3H2,(H,10,11)
InChIKeyGZDQKILZXWFCPK-UHFFFAOYSA-N
XLogP1.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,7-Tetrahydro-1H-benzimidazole
CID 304263
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine
CID 155924
3-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 20515389
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 69238739
1H-Imidazole-4-ethanamine, alpha,5-dimethyl-
CID 158290
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 71695304
4-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 588687
2-bromo-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 33778496
5-Amino-4,5,6,7-tetrahydrobenzimidazole
CID 194276
4,5-Diethyl-1H-imidazole
CID 12593759
4,5-Dipropyl-1H-imidazole
CID 12593760

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole?
The IUPAC name of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole (CID 154577697) is 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole.
What is the SMILES notation for 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole?
The canonical SMILES for 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole is FC1(F)CCc2nc[nH]c2C1.
What is the InChIKey of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole?
The InChIKey is GZDQKILZXWFCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c8-7(9)2-1-5-6(3-7)11-4-10-5/h4H,1-3H2,(H,10,11).
What are the key properties of 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole?
6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole has a molecular weight of 158.15 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,4,5,7-tetrahydrobenzimidazole is sourced from PubChem (CID 154577697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).