5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine

C16H12ClN5O — CID 137423781

IUPAC5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc[nH]c3c2)o1
InChIInChI=1S/C16H12ClN5O/c1-8-2-3-12(23-8)16-14(19-6-13(18)22-16)9-4-10(17)15-11(5-9)20-7-21-15/h2-7H,1H3,(H2,18,22)(H,20,21)
InChIKeyXVKDQVAPLPEISY-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.82
Rot. Bonds2

About 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine

5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine (PubChem CID 137423781) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
PubChem CID137423781
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc[nH]c3c2)o1
InChIInChI=1S/C16H12ClN5O/c1-8-2-3-12(23-8)16-14(19-6-13(18)22-16)9-4-10(17)15-11(5-9)20-7-21-15/h2-7H,1H3,(H2,18,22)(H,20,21)
InChIKeyXVKDQVAPLPEISY-UHFFFAOYSA-N
XLogP3.82
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine (CID 137423781) is 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine is Cc1ccc(-c2nc(N)cnc2-c2cc(Cl)c3nc[nH]c3c2)o1.
What is the InChIKey of 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The InChIKey is XVKDQVAPLPEISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c1-8-2-3-12(23-8)16-14(19-6-13(18)22-16)9-4-10(17)15-11(5-9)20-7-21-15/h2-7H,1H3,(H2,18,22)(H,20,21).
What are the key properties of 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine?
5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine has a molecular weight of 325.76 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 137423781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).