1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole

C19H21F2N5O2S2 — CID 16625470

IUPAC1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole
SMILESCN1CCN(S(=O)(=O)c2ccc(SCc3nc4ccccc4n3C(F)F)nc2)CC1
InChIInChI=1S/C19H21F2N5O2S2/c1-24-8-10-25(11-9-24)30(27,28)14-6-7-18(22-12-14)29-13-17-23-15-4-2-3-5-16(15)26(17)19(20)21/h2-7,12,19H,8-11,13H2,1H3
InChIKeySWINBOJKHURQIV-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.05
Rot. Bonds6

About 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole

1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole (PubChem CID 16625470) has the molecular formula C19H21F2N5O2S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole
PubChem CID16625470
Molecular FormulaC19H21F2N5O2S2
Molecular Weight453.54 g/mol
Exact Mass453.11
IUPAC Name1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole
SMILESCN1CCN(S(=O)(=O)c2ccc(SCc3nc4ccccc4n3C(F)F)nc2)CC1
InChIInChI=1S/C19H21F2N5O2S2/c1-24-8-10-25(11-9-24)30(27,28)14-6-7-18(22-12-14)29-13-17-23-15-4-2-3-5-16(15)26(17)19(20)21/h2-7,12,19H,8-11,13H2,1H3
InChIKeySWINBOJKHURQIV-UHFFFAOYSA-N
XLogP3.05
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole
CID 24630092
1-[[6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 7778954
1-methyl-4-[[6-(2-methylprop-2-enylsulfanyl)-3-pyridinyl]sulfonyl]piperazine
CID 17412610
1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
CID 17480565
1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 25409396
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41088397
N-(6-methylheptan-2-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 43033135
N-cycloheptyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593969
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641198
1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
CID 42926494

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole (CID 16625470) is 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole is CN1CCN(S(=O)(=O)c2ccc(SCc3nc4ccccc4n3C(F)F)nc2)CC1.
What is the InChIKey of 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole?
The InChIKey is SWINBOJKHURQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2S2/c1-24-8-10-25(11-9-24)30(27,28)14-6-7-18(22-12-14)29-13-17-23-15-4-2-3-5-16(15)26(17)19(20)21/h2-7,12,19H,8-11,13H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole?
1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole has a molecular weight of 453.54 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanylmethyl]benzimidazole is sourced from PubChem (CID 16625470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).