2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine

C15H16N4OS — CID 80640192

IUPAC2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
SMILESCOc1ccc2nc(Sc3ccc(CCN)cn3)[nH]c2c1
InChIInChI=1S/C15H16N4OS/c1-20-11-3-4-12-13(8-11)19-15(18-12)21-14-5-2-10(6-7-16)9-17-14/h2-5,8-9H,6-7,16H2,1H3,(H,18,19)
InChIKeyGCYBZQNQUODQHB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.62
Rot. Bonds5

About 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine

2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine (PubChem CID 80640192) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
PubChem CID80640192
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
SMILESCOc1ccc2nc(Sc3ccc(CCN)cn3)[nH]c2c1
InChIInChI=1S/C15H16N4OS/c1-20-11-3-4-12-13(8-11)19-15(18-12)21-14-5-2-10(6-7-16)9-17-14/h2-5,8-9H,6-7,16H2,1H3,(H,18,19)
InChIKeyGCYBZQNQUODQHB-UHFFFAOYSA-N
XLogP2.62
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651608
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 63087024
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
CID 61228416
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
CID 61371231
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine
CID 83267069
2-[(5-tert-butyl-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
CID 107875352
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467
5-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 61295612

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine (CID 80640192) is 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine is COc1ccc2nc(Sc3ccc(CCN)cn3)[nH]c2c1.
What is the InChIKey of 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
The InChIKey is GCYBZQNQUODQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-20-11-3-4-12-13(8-11)19-15(18-12)21-14-5-2-10(6-7-16)9-17-14/h2-5,8-9H,6-7,16H2,1H3,(H,18,19).
What are the key properties of 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine?
2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine has a molecular weight of 300.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 80640192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).