3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine

C14H12Cl2N4S — CID 102761461

IUPAC3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
SMILESCNc1nc(Sc2nc3ccc(C)cc3[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4S/c1-7-3-4-10-11(5-7)19-14(18-10)21-13-9(16)6-8(15)12(17-2)20-13/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyHLDRFSICXLFSKO-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.77
Rot. Bonds3

About 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine

3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine (PubChem CID 102761461) has the molecular formula C14H12Cl2N4S and a molecular weight of 339.25 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
PubChem CID102761461
Molecular FormulaC14H12Cl2N4S
Molecular Weight339.25 g/mol
Exact Mass338.02
IUPAC Name3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
SMILESCNc1nc(Sc2nc3ccc(C)cc3[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N4S/c1-7-3-4-10-11(5-7)19-14(18-10)21-13-9(16)6-8(15)12(17-2)20-13/h3-6H,1-2H3,(H,17,20)(H,18,19)
InChIKeyHLDRFSICXLFSKO-UHFFFAOYSA-N
XLogP4.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
1-[4-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864533
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
CID 62874588
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63836193
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
CID 102926978
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine (CID 102761461) is 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine is CNc1nc(Sc2nc3ccc(C)cc3[nH]2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
The InChIKey is HLDRFSICXLFSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4S/c1-7-3-4-10-11(5-7)19-14(18-10)21-13-9(16)6-8(15)12(17-2)20-13/h3-6H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine has a molecular weight of 339.25 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 102761461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).