[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine

C16H17N3S — CID 62875100

IUPAC[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccc2nc(SCc3cccc(CN)c3)[nH]c2c1
InChIInChI=1S/C16H17N3S/c1-11-5-6-14-15(7-11)19-16(18-14)20-10-13-4-2-3-12(8-13)9-17/h2-8H,9-10,17H2,1H3,(H,18,19)
InChIKeyBDNBMGCDMZZJHP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.62
Rot. Bonds4

About [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine

[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine (PubChem CID 62875100) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
PubChem CID62875100
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccc2nc(SCc3cccc(CN)c3)[nH]c2c1
InChIInChI=1S/C16H17N3S/c1-11-5-6-14-15(7-11)19-16(18-14)20-10-13-4-2-3-12(8-13)9-17/h2-8H,9-10,17H2,1H3,(H,18,19)
InChIKeyBDNBMGCDMZZJHP-UHFFFAOYSA-N
XLogP3.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-[(3-methylphenyl)methylsulfanyl]-1H-benzo[f]benzimidazole
CID 72704442
6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 23739518
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 3343828
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methyl-1H-benzimidazole
CID 104514375
N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62875618
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613957
2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617402
6-methyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 113249741

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine (CID 62875100) is [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine is Cc1ccc2nc(SCc3cccc(CN)c3)[nH]c2c1.
What is the InChIKey of [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is BDNBMGCDMZZJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-5-6-14-15(7-11)19-16(18-14)20-10-13-4-2-3-12(8-13)9-17/h2-8H,9-10,17H2,1H3,(H,18,19).
What are the key properties of [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine?
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 62875100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).