2-quinolin-7-yl-3H-benzimidazole-5-thiol

C16H11N3S — CID 142343684

IUPAC2-quinolin-7-yl-3H-benzimidazole-5-thiol
SMILESSc1ccc2nc(-c3ccc4cccnc4c3)[nH]c2c1
InChIInChI=1S/C16H11N3S/c20-12-5-6-13-15(9-12)19-16(18-13)11-4-3-10-2-1-7-17-14(10)8-11/h1-9,20H,(H,18,19)
InChIKeyQYBUIDICDUDILN-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.07
Rot. Bonds1

About 2-quinolin-7-yl-3H-benzimidazole-5-thiol

2-quinolin-7-yl-3H-benzimidazole-5-thiol (PubChem CID 142343684) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-quinolin-7-yl-3H-benzimidazole-5-thiol.

Molecular Properties

Compound Name2-quinolin-7-yl-3H-benzimidazole-5-thiol
PubChem CID142343684
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name2-quinolin-7-yl-3H-benzimidazole-5-thiol
SMILESSc1ccc2nc(-c3ccc4cccnc4c3)[nH]c2c1
InChIInChI=1S/C16H11N3S/c20-12-5-6-13-15(9-12)19-16(18-13)11-4-3-10-2-1-7-17-14(10)8-11/h1-9,20H,(H,18,19)
InChIKeyQYBUIDICDUDILN-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3H-benzimidazole-5-thiol
CID 57216404
4-[(2-quinolin-7-yl-3H-benzimidazol-5-yl)sulfinyl]morpholine
CID 155312842
4-(1H-imidazo[4,5-g]quinolin-2-yl)benzonitrile
CID 127044220
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
CID 168554862
6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole
CID 10410486
7-(10-quinolin-7-ylanthracen-9-yl)quinoline
CID 167164576
6-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)quinoline
CID 79791281
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
7-(6-bromo-2-pyridinyl)quinoline
CID 81221969
7-(4-chloro-2-pyridinyl)quinoline
CID 102825160
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
N-methyl-2-quinolin-6-yl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816594

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-7-yl-3H-benzimidazole-5-thiol?
The IUPAC name of 2-quinolin-7-yl-3H-benzimidazole-5-thiol (CID 142343684) is 2-quinolin-7-yl-3H-benzimidazole-5-thiol.
What is the SMILES notation for 2-quinolin-7-yl-3H-benzimidazole-5-thiol?
The canonical SMILES for 2-quinolin-7-yl-3H-benzimidazole-5-thiol is Sc1ccc2nc(-c3ccc4cccnc4c3)[nH]c2c1.
What is the InChIKey of 2-quinolin-7-yl-3H-benzimidazole-5-thiol?
The InChIKey is QYBUIDICDUDILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c20-12-5-6-13-15(9-12)19-16(18-13)11-4-3-10-2-1-7-17-14(10)8-11/h1-9,20H,(H,18,19).
What are the key properties of 2-quinolin-7-yl-3H-benzimidazole-5-thiol?
2-quinolin-7-yl-3H-benzimidazole-5-thiol has a molecular weight of 277.35 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-7-yl-3H-benzimidazole-5-thiol is sourced from PubChem (CID 142343684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).