2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine

C13H15N5 — CID 82387335

IUPAC2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine
SMILESCn1cnc2cc(-c3cnc(CCN)[nH]3)ccc21
InChIInChI=1S/C13H15N5/c1-18-8-16-10-6-9(2-3-12(10)18)11-7-15-13(17-11)4-5-14/h2-3,6-8H,4-5,14H2,1H3,(H,15,17)
InChIKeyVPQSAUXVSPELLR-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.46
Rot. Bonds3

About 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine

2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 82387335) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID82387335
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine
SMILESCn1cnc2cc(-c3cnc(CCN)[nH]3)ccc21
InChIInChI=1S/C13H15N5/c1-18-8-16-10-6-9(2-3-12(10)18)11-7-15-13(17-11)4-5-14/h2-3,6-8H,4-5,14H2,1H3,(H,15,17)
InChIKeyVPQSAUXVSPELLR-UHFFFAOYSA-N
XLogP1.46
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine (CID 82387335) is 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine is Cn1cnc2cc(-c3cnc(CCN)[nH]3)ccc21.
What is the InChIKey of 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is VPQSAUXVSPELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-18-8-16-10-6-9(2-3-12(10)18)11-7-15-13(17-11)4-5-14/h2-3,6-8H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine?
2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 241.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82387335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).