N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine

C15H16N4S — CID 62875618

IUPACN-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1ccc(CSc2nc3ccc(C)cc3[nH]2)cn1
InChIInChI=1S/C15H16N4S/c1-10-3-5-12-13(7-10)19-15(18-12)20-9-11-4-6-14(16-2)17-8-11/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQYDZPPBSNRJNKE-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine

N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62875618) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID62875618
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1ccc(CSc2nc3ccc(C)cc3[nH]2)cn1
InChIInChI=1S/C15H16N4S/c1-10-3-5-12-13(7-10)19-15(18-12)20-9-11-4-6-14(16-2)17-8-11/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQYDZPPBSNRJNKE-UHFFFAOYSA-N
XLogP3.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 3343828
6-methyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 113249741
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methyl-1H-benzimidazole
CID 104514375
2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
CID 2443532
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 28914466
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780
2-[(5-methyl-3-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 102878442

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine (CID 62875618) is N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine is CNc1ccc(CSc2nc3ccc(C)cc3[nH]2)cn1.
What is the InChIKey of N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is QYDZPPBSNRJNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-3-5-12-13(7-10)19-15(18-12)20-9-11-4-6-14(16-2)17-8-11/h3-8H,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62875618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).