2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine

C14H15N3OS — CID 43513854

IUPAC2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCSCc3ccco3)[nH]c2c1
InChIInChI=1S/C14H15N3OS/c15-10-3-4-12-13(8-10)17-14(16-12)5-7-19-9-11-2-1-6-18-11/h1-4,6,8H,5,7,9,15H2,(H,16,17)
InChIKeyBUHFWVUYFWUCJY-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine

2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine (PubChem CID 43513854) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine
PubChem CID43513854
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCSCc3ccco3)[nH]c2c1
InChIInChI=1S/C14H15N3OS/c15-10-3-4-12-13(8-10)17-14(16-12)5-7-19-9-11-2-1-6-18-11/h1-4,6,8H,5,7,9,15H2,(H,16,17)
InChIKeyBUHFWVUYFWUCJY-UHFFFAOYSA-N
XLogP3.21
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Fuberidazole
CID 19756
1H-Benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-5-methyl-
CID 5768678
N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-thiophenecarboxamide
CID 828644
N-[2-(2-thienyl)-1H-benzimidazol-5-yl]-2-furamide
CID 828646
2-(5-Methyl-2-furyl)benzimidazole
CID 827976
5-(1H-Benzimidazol-2-ylsulfanyl)-2-furaldehyde
CID 698427
(2E)-2-(1H-benzimidazol-2-yl)-3-[5-(phenylsulfanyl)furan-2-yl]prop-2-enenitrile
CID 5817505
(E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 1618323
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6886508
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(2-furyl)acrylamide
CID 876026
2-[(E)-2-(furan-2-yl)ethenyl]-1H-benzimidazole
CID 5343732
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 892850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine (CID 43513854) is 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(CCSCc3ccco3)[nH]c2c1.
What is the InChIKey of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine?
The InChIKey is BUHFWVUYFWUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-10-3-4-12-13(8-10)17-14(16-12)5-7-19-9-11-2-1-6-18-11/h1-4,6,8H,5,7,9,15H2,(H,16,17).
What are the key properties of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine?
2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine has a molecular weight of 273.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylsulfanyl)ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 43513854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).