2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole

C11H10F2N2 — CID 112556693

IUPAC2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(CC3CC3)nc2c1F
InChIInChI=1S/C11H10F2N2/c12-7-3-4-8-11(10(7)13)15-9(14-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyGNOXEMMLDQIYHN-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.79
Rot. Bonds2

About 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole

2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole (PubChem CID 112556693) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
PubChem CID112556693
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(CC3CC3)nc2c1F
InChIInChI=1S/C11H10F2N2/c12-7-3-4-8-11(10(7)13)15-9(14-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyGNOXEMMLDQIYHN-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole (CID 112556693) is 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole is Fc1ccc2[nH]c(CC3CC3)nc2c1F.
What is the InChIKey of 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is GNOXEMMLDQIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-7-3-4-8-11(10(7)13)15-9(14-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole?
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 208.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 112556693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).