2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine

C10H11N3S — CID 84617420

IUPAC2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine
SMILESC=CCSc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H11N3S/c1-2-5-14-10-12-8-4-3-7(11)6-9(8)13-10/h2-4,6H,1,5,11H2,(H,12,13)
InChIKeyAIQCRBVAOACBJQ-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.42
Rot. Bonds3

About 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine

2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine (PubChem CID 84617420) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine
PubChem CID84617420
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine
SMILESC=CCSc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H11N3S/c1-2-5-14-10-12-8-4-3-7(11)6-9(8)13-10/h2-4,6H,1,5,11H2,(H,12,13)
InChIKeyAIQCRBVAOACBJQ-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]but-2-enoic acid
CID 112645743
2-(3,3-dimethylbutylsulfanyl)-3H-benzimidazol-5-amine
CID 54958043
2-(3,3,3-trifluoropropylsulfanyl)-3H-benzimidazol-5-amine
CID 64566971
2-pent-3-ynylsulfanyl-3H-benzimidazol-5-amine
CID 104808127
2-[2-(diethylamino)ethylsulfanyl]-3H-benzimidazol-5-amine
CID 61358076
2-(pyrazin-2-ylmethylsulfanyl)-3H-benzimidazol-5-amine
CID 112645835
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-3H-benzimidazol-5-amine
CID 102820465
2-[(5-methyl-3-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 102878442
2-[1-[(6-amino-1H-benzimidazol-2-yl)sulfanylmethyl]cyclopropyl]acetonitrile
CID 65496581
2-[(3-methylimidazol-4-yl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 112645813
2-[(3-bromo-4-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 61357884
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61372787

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine (CID 84617420) is 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine is C=CCSc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine?
The InChIKey is AIQCRBVAOACBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-2-5-14-10-12-8-4-3-7(11)6-9(8)13-10/h2-4,6H,1,5,11H2,(H,12,13).
What are the key properties of 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine?
2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine has a molecular weight of 205.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 84617420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).