1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole

C25H25F2N5O — CID 118108536

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole
SMILESCc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C25H25F2N5O/c1-17-30-21-8-6-18(19-7-9-24(29-15-19)31-12-10-28-11-13-31)14-22(21)32(17)16-20-4-2-3-5-23(20)33-25(26)27/h2-9,14-15,25,28H,10-13,16H2,1H3
InChIKeyLRHACCJNWLLTDS-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.47
Rot. Bonds6

About 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole

1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole (PubChem CID 118108536) has the molecular formula C25H25F2N5O and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole
PubChem CID118108536
Molecular FormulaC25H25F2N5O
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole
SMILESCc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C25H25F2N5O/c1-17-30-21-8-6-18(19-7-9-24(29-15-19)31-12-10-28-11-13-31)14-22(21)32(17)16-20-4-2-3-5-23(20)33-25(26)27/h2-9,14-15,25,28H,10-13,16H2,1H3
InChIKeyLRHACCJNWLLTDS-UHFFFAOYSA-N
XLogP4.47
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole (CID 118108536) is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole is Cc1nc2ccc(-c3ccc(N4CCNCC4)nc3)cc2n1Cc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole?
The InChIKey is LRHACCJNWLLTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O/c1-17-30-21-8-6-18(19-7-9-24(29-15-19)31-12-10-28-11-13-31)14-22(21)32(17)16-20-4-2-3-5-23(20)33-25(26)27/h2-9,14-15,25,28H,10-13,16H2,1H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole?
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole has a molecular weight of 449.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(6-piperazin-1-yl-3-pyridinyl)benzimidazole is sourced from PubChem (CID 118108536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).