2-(2-anilinobenzimidazol-1-yl)ethanethiol

C15H15N3S — CID 135270626

IUPAC2-(2-anilinobenzimidazol-1-yl)ethanethiol
SMILESSCCn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H15N3S/c19-11-10-18-14-9-5-4-8-13(14)17-15(18)16-12-6-2-1-3-7-12/h1-9,19H,10-11H2,(H,16,17)
InChIKeyPZWOYWWIZSOTGB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-anilinobenzimidazol-1-yl)ethanethiol

2-(2-anilinobenzimidazol-1-yl)ethanethiol (PubChem CID 135270626) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-anilinobenzimidazol-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(2-anilinobenzimidazol-1-yl)ethanethiol
PubChem CID135270626
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-(2-anilinobenzimidazol-1-yl)ethanethiol
SMILESSCCn1c(Nc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H15N3S/c19-11-10-18-14-9-5-4-8-13(14)17-15(18)16-12-6-2-1-3-7-12/h1-9,19H,10-11H2,(H,16,17)
InChIKeyPZWOYWWIZSOTGB-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
2-(2-anilinobenzimidazol-1-yl)acetic acid
CID 15944452
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
N-(4-ethoxyphenyl)-1-pentylbenzimidazol-2-amine
CID 4697797
4-N,4-N-diethyl-1-N-(1-pentylbenzimidazol-2-yl)benzene-1,4-diamine
CID 4697855
CID 70326426
CID 70326426
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
2-anilino-3-propylquinazolin-4-one
CID 10901968
2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol
CID 115144095

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilinobenzimidazol-1-yl)ethanethiol?
The IUPAC name of 2-(2-anilinobenzimidazol-1-yl)ethanethiol (CID 135270626) is 2-(2-anilinobenzimidazol-1-yl)ethanethiol.
What is the SMILES notation for 2-(2-anilinobenzimidazol-1-yl)ethanethiol?
The canonical SMILES for 2-(2-anilinobenzimidazol-1-yl)ethanethiol is SCCn1c(Nc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-anilinobenzimidazol-1-yl)ethanethiol?
The InChIKey is PZWOYWWIZSOTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c19-11-10-18-14-9-5-4-8-13(14)17-15(18)16-12-6-2-1-3-7-12/h1-9,19H,10-11H2,(H,16,17).
What are the key properties of 2-(2-anilinobenzimidazol-1-yl)ethanethiol?
2-(2-anilinobenzimidazol-1-yl)ethanethiol has a molecular weight of 269.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinobenzimidazol-1-yl)ethanethiol is sourced from PubChem (CID 135270626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).