[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine

C15H16N4S — CID 114769891

IUPAC[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
SMILESCc1ccc2nc(Sc3cc(CN)cc(C)n3)[nH]c2c1
InChIInChI=1S/C15H16N4S/c1-9-3-4-12-13(5-9)19-15(18-12)20-14-7-11(8-16)6-10(2)17-14/h3-7H,8,16H2,1-2H3,(H,18,19)
InChIKeyHZQDMSDFGFIKQJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.18
Rot. Bonds3

About [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine

[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine (PubChem CID 114769891) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
PubChem CID114769891
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
SMILESCc1ccc2nc(Sc3cc(CN)cc(C)n3)[nH]c2c1
InChIInChI=1S/C15H16N4S/c1-9-3-4-12-13(5-9)19-15(18-12)20-14-7-11(8-16)6-10(2)17-14/h3-7H,8,16H2,1-2H3,(H,18,19)
InChIKeyHZQDMSDFGFIKQJ-UHFFFAOYSA-N
XLogP3.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 79516723
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
(2-methyl-6-phenylsulfanyl-4-pyridinyl)methanamine
CID 114769845
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
[2-(3,4-dichlorophenyl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769905
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892293

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine?
The IUPAC name of [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine (CID 114769891) is [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine is Cc1ccc2nc(Sc3cc(CN)cc(C)n3)[nH]c2c1.
What is the InChIKey of [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine?
The InChIKey is HZQDMSDFGFIKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-3-4-12-13(5-9)19-15(18-12)20-14-7-11(8-16)6-10(2)17-14/h3-7H,8,16H2,1-2H3,(H,18,19).
What are the key properties of [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine?
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine has a molecular weight of 284.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine is sourced from PubChem (CID 114769891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).