6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole

C12H12F2N2 — CID 116841727

IUPAC6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(C(F)(F)C3CC3)cc2[nH]1
InChIInChI=1S/C12H12F2N2/c1-7-15-10-5-4-9(6-11(10)16-7)12(13,14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,15,16)
InChIKeySGHPNOOVRDHXKR-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.37
Rot. Bonds2

About 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole

6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole (PubChem CID 116841727) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
PubChem CID116841727
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(C(F)(F)C3CC3)cc2[nH]1
InChIInChI=1S/C12H12F2N2/c1-7-15-10-5-4-9(6-11(10)16-7)12(13,14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,15,16)
InChIKeySGHPNOOVRDHXKR-UHFFFAOYSA-N
XLogP3.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[cyclopropyl(difluoro)methyl]-1H-benzimidazole
CID 116841726
2-methyl-6-[4-(2-methyl-3H-benzimidazol-5-yl)cyclohex-2-en-1-yl]-1H-benzimidazole
CID 59539167
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole
CID 157210759
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one
CID 116841733
2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456132
N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
CID 19840426
N'-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]ethane-1,2-diamine
CID 115195642
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole?
The IUPAC name of 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole (CID 116841727) is 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole is Cc1nc2ccc(C(F)(F)C3CC3)cc2[nH]1.
What is the InChIKey of 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole?
The InChIKey is SGHPNOOVRDHXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-7-15-10-5-4-9(6-11(10)16-7)12(13,14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,15,16).
What are the key properties of 6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole?
6-[cyclopropyl(difluoro)methyl]-2-methyl-1H-benzimidazole has a molecular weight of 222.24 g/mol, XLogP of 3.37, 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]-2-methyl-1H-benzimidazole is sourced from PubChem (CID 116841727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).