6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine

C14H14N4S — CID 22394114

IUPAC6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCc1cccc2[nH]c(SCc3cccc(N)n3)nc12
InChIInChI=1S/C14H14N4S/c1-9-4-2-6-11-13(9)18-14(17-11)19-8-10-5-3-7-12(15)16-10/h2-7H,8H2,1H3,(H2,15,16)(H,17,18)
InChIKeyQHXZFSFXTMDPHJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.14
Rot. Bonds3

About 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine

6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 22394114) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID22394114
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
SMILESCc1cccc2[nH]c(SCc3cccc(N)n3)nc12
InChIInChI=1S/C14H14N4S/c1-9-4-2-6-11-13(9)18-14(17-11)19-8-10-5-3-7-12(15)16-10/h2-7H,8H2,1H3,(H2,15,16)(H,17,18)
InChIKeyQHXZFSFXTMDPHJ-UHFFFAOYSA-N
XLogP3.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine (CID 22394114) is 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine is Cc1cccc2[nH]c(SCc3cccc(N)n3)nc12.
What is the InChIKey of 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is QHXZFSFXTMDPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-4-2-6-11-13(9)18-14(17-11)19-8-10-5-3-7-12(15)16-10/h2-7H,8H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine?
6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 270.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 22394114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).