2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide

C20H24N4OS3 — CID 22592169

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide
SMILESCCCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1c(SC)cc(C)nc1SC
InChIInChI=1S/C20H24N4OS3/c1-5-8-15(28-20-22-13-9-6-7-10-14(13)23-20)18(25)24-17-16(26-3)11-12(2)21-19(17)27-4/h6-7,9-11,15H,5,8H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyRCCZPDDPNLVPAO-UHFFFAOYSA-N
MW432.64 g/mol
LogP5.61
Rot. Bonds8

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide (PubChem CID 22592169) has the molecular formula C20H24N4OS3 and a molecular weight of 432.64 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide
PubChem CID22592169
Molecular FormulaC20H24N4OS3
Molecular Weight432.64 g/mol
Exact Mass432.11
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide
SMILESCCCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1c(SC)cc(C)nc1SC
InChIInChI=1S/C20H24N4OS3/c1-5-8-15(28-20-22-13-9-6-7-10-14(13)23-20)18(25)24-17-16(26-3)11-12(2)21-19(17)27-4/h6-7,9-11,15H,5,8H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyRCCZPDDPNLVPAO-UHFFFAOYSA-N
XLogP5.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.64
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide (CID 22592169) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide is CCCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1c(SC)cc(C)nc1SC.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide?
The InChIKey is RCCZPDDPNLVPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS3/c1-5-8-15(28-20-22-13-9-6-7-10-14(13)23-20)18(25)24-17-16(26-3)11-12(2)21-19(17)27-4/h6-7,9-11,15H,5,8H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide has a molecular weight of 432.64 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 22592169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).