6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole

C11H10F2N2 — CID 116841726

IUPAC6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole
SMILESFC(F)(c1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C11H10F2N2/c12-11(13,7-1-2-7)8-3-4-9-10(5-8)15-6-14-9/h3-7H,1-2H2,(H,14,15)
InChIKeyZXHBTYPNUIFYQK-UHFFFAOYSA-N
MW208.21 g/mol
LogP3.06
Rot. Bonds2

About 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole

6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole (PubChem CID 116841726) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole
PubChem CID116841726
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole
SMILESFC(F)(c1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C11H10F2N2/c12-11(13,7-1-2-7)8-3-4-9-10(5-8)15-6-14-9/h3-7H,1-2H2,(H,14,15)
InChIKeyZXHBTYPNUIFYQK-UHFFFAOYSA-N
XLogP3.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
CID 116841727
2-(3H-benzimidazol-5-yl)propane-2-sulfonyl chloride
CID 116866400
5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one
CID 116841733
6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
CID 116875889
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole
CID 116841728
CID 59909636
CID 59909636
CID 162726025
CID 162726025
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 96670413
[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108547387
N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 115307724

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole?
The IUPAC name of 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole (CID 116841726) is 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole?
The canonical SMILES for 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole is FC(F)(c1ccc2nc[nH]c2c1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole?
The InChIKey is ZXHBTYPNUIFYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-11(13,7-1-2-7)8-3-4-9-10(5-8)15-6-14-9/h3-7H,1-2H2,(H,14,15).
What are the key properties of 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole?
6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole has a molecular weight of 208.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole is sourced from PubChem (CID 116841726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).