N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C15H17N5 — CID 66450549

IUPACN-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(-n2cnc3ccccc32)n1
InChIInChI=1S/C15H17N5/c1-11(2)17-8-12-7-16-9-15(19-12)20-10-18-13-5-3-4-6-14(13)20/h3-7,9-11,17H,8H2,1-2H3
InChIKeyQVBWBOPJQOBZGN-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.31
Rot. Bonds4

About N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66450549) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66450549
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(-n2cnc3ccccc32)n1
InChIInChI=1S/C15H17N5/c1-11(2)17-8-12-7-16-9-15(19-12)20-10-18-13-5-3-4-6-14(13)20/h3-7,9-11,17H,8H2,1-2H3
InChIKeyQVBWBOPJQOBZGN-UHFFFAOYSA-N
XLogP2.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 66450549) is N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(-n2cnc3ccccc32)n1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is QVBWBOPJQOBZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11(2)17-8-12-7-16-9-15(19-12)20-10-18-13-5-3-4-6-14(13)20/h3-7,9-11,17H,8H2,1-2H3.
What are the key properties of N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66450549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).