4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine

C13H12N4S — CID 43299793

IUPAC4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4S/c14-9-7-15-6-5-12(9)18-8-13-16-10-3-1-2-4-11(10)17-13/h1-7H,8,14H2,(H,16,17)
InChIKeyVZFBOWVKHRQSIG-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.83
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine

4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine (PubChem CID 43299793) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine
PubChem CID43299793
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4S/c14-9-7-15-6-5-12(9)18-8-13-16-10-3-1-2-4-11(10)17-13/h1-7H,8,14H2,(H,16,17)
InChIKeyVZFBOWVKHRQSIG-UHFFFAOYSA-N
XLogP2.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-ylsulfanylmethyl)-1H-benzimidazole
CID 121223242
2-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]-1H-benzimidazole
CID 13163511
2-[[(2S)-butan-2-yl]sulfanylmethyl]-1H-benzimidazole
CID 886868
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1H-benzimidazole
CID 583185
4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
CID 43300080
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine
CID 96604108
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1H-benzimidazole;dihydrochloride
CID 3027343
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine (CID 43299793) is 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine is Nc1cnccc1SCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine?
The InChIKey is VZFBOWVKHRQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-9-7-15-6-5-12(9)18-8-13-16-10-3-1-2-4-11(10)17-13/h1-7H,8,14H2,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine?
4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine has a molecular weight of 256.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 43299793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).