2-quinolin-5-yl-3H-benzimidazol-5-amine

C16H12N4 — CID 62874194

IUPAC2-quinolin-5-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc4ncccc34)[nH]c2c1
InChIInChI=1S/C16H12N4/c17-10-6-7-14-15(9-10)20-16(19-14)12-3-1-5-13-11(12)4-2-8-18-13/h1-9H,17H2,(H,19,20)
InChIKeyRIZZOLVLNIDUMS-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.36
Rot. Bonds1

About 2-quinolin-5-yl-3H-benzimidazol-5-amine

2-quinolin-5-yl-3H-benzimidazol-5-amine (PubChem CID 62874194) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-quinolin-5-yl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-quinolin-5-yl-3H-benzimidazol-5-amine
PubChem CID62874194
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-quinolin-5-yl-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc4ncccc34)[nH]c2c1
InChIInChI=1S/C16H12N4/c17-10-6-7-14-15(9-10)20-16(19-14)12-3-1-5-13-11(12)4-2-8-18-13/h1-9H,17H2,(H,19,20)
InChIKeyRIZZOLVLNIDUMS-UHFFFAOYSA-N
XLogP3.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
Mavorixafor
CID 11256587
2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
Apto-253
CID 11960271
CR-4056
CID 24898732
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Akn-028
CID 44177328
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-yl-3H-benzimidazol-5-amine?
The IUPAC name of 2-quinolin-5-yl-3H-benzimidazol-5-amine (CID 62874194) is 2-quinolin-5-yl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-quinolin-5-yl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-quinolin-5-yl-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cccc4ncccc34)[nH]c2c1.
What is the InChIKey of 2-quinolin-5-yl-3H-benzimidazol-5-amine?
The InChIKey is RIZZOLVLNIDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-10-6-7-14-15(9-10)20-16(19-14)12-3-1-5-13-11(12)4-2-8-18-13/h1-9H,17H2,(H,19,20).
What are the key properties of 2-quinolin-5-yl-3H-benzimidazol-5-amine?
2-quinolin-5-yl-3H-benzimidazol-5-amine has a molecular weight of 260.30 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-5-yl-3H-benzimidazol-5-amine is sourced from PubChem (CID 62874194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).