(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine

C17H14N4 — CID 79004277

IUPAC(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine
SMILESNCc1ccc2nc(-c3cccc4cccnc34)[nH]c2c1
InChIInChI=1S/C17H14N4/c18-10-11-6-7-14-15(9-11)21-17(20-14)13-5-1-3-12-4-2-8-19-16(12)13/h1-9H,10,18H2,(H,20,21)
InChIKeyHIRZUGCSZSEMCQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.24
Rot. Bonds2

About (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine

(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine (PubChem CID 79004277) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine
PubChem CID79004277
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine
SMILESNCc1ccc2nc(-c3cccc4cccnc34)[nH]c2c1
InChIInChI=1S/C17H14N4/c18-10-11-6-7-14-15(9-11)21-17(20-14)13-5-1-3-12-4-2-8-19-16(12)13/h1-9H,10,18H2,(H,20,21)
InChIKeyHIRZUGCSZSEMCQ-UHFFFAOYSA-N
XLogP3.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine (CID 79004277) is (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine is NCc1ccc2nc(-c3cccc4cccnc34)[nH]c2c1.
What is the InChIKey of (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is HIRZUGCSZSEMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-10-11-6-7-14-15(9-11)21-17(20-14)13-5-1-3-12-4-2-8-19-16(12)13/h1-9H,10,18H2,(H,20,21).
What are the key properties of (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine?
(2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 274.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-quinolin-8-yl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 79004277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).