4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole

C10H10F2N2O2 — CID 141359482

IUPAC4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole
SMILESCOCc1nc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C10H10F2N2O2/c1-15-5-8-13-6-3-2-4-7(9(6)14-8)16-10(11)12/h2-4,10H,5H2,1H3,(H,13,14)
InChIKeyDTFBCBPRAGPDLJ-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.31
Rot. Bonds4

About 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole

4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole (PubChem CID 141359482) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole
PubChem CID141359482
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole
SMILESCOCc1nc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C10H10F2N2O2/c1-15-5-8-13-6-3-2-4-7(9(6)14-8)16-10(11)12/h2-4,10H,5H2,1H3,(H,13,14)
InChIKeyDTFBCBPRAGPDLJ-UHFFFAOYSA-N
XLogP2.31
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methoxymethyl)-1H-benzimidazol-4-yl]propan-2-ol
CID 86721364
5-(difluoromethoxy)-1H-quinoxalin-2-one
CID 133058729
[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride
CID 170918592
4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 46264650
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
CID 112603045
2-(bromomethyl)-6-chloro-4-(difluoromethoxy)-1H-benzimidazole
CID 131497083
2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720431
2-(ethoxymethyl)-1H-benzimidazol-4-amine
CID 63691528
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
(5-methyl-2-propan-2-ylcyclohexyl) 4-(difluoromethoxy)-1H-benzimidazole-2-sulfinate
CID 90952184
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 175751021

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole?
The IUPAC name of 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole (CID 141359482) is 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole?
The canonical SMILES for 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole is COCc1nc2c(OC(F)F)cccc2[nH]1.
What is the InChIKey of 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole?
The InChIKey is DTFBCBPRAGPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c1-15-5-8-13-6-3-2-4-7(9(6)14-8)16-10(11)12/h2-4,10H,5H2,1H3,(H,13,14).
What are the key properties of 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole?
4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole has a molecular weight of 228.20 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(methoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 141359482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).