bis(1H-imidazol-2-yl)methanamine

C7H9N5 — CID 10219590

IUPACbis(1H-imidazol-2-yl)methanamine
SMILESNC(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C7H9N5/c8-5(6-9-1-2-10-6)7-11-3-4-12-7/h1-5H,8H2,(H,9,10)(H,11,12)
InChIKeyJBWNTRKSBCIBEO-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.18
Rot. Bonds2

About bis(1H-imidazol-2-yl)methanamine

bis(1H-imidazol-2-yl)methanamine (PubChem CID 10219590) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is bis(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Namebis(1H-imidazol-2-yl)methanamine
PubChem CID10219590
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Namebis(1H-imidazol-2-yl)methanamine
SMILESNC(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C7H9N5/c8-5(6-9-1-2-10-6)7-11-3-4-12-7/h1-5H,8H2,(H,9,10)(H,11,12)
InChIKeyJBWNTRKSBCIBEO-UHFFFAOYSA-N
XLogP0.18
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazol-2-yl)methanamine?
The IUPAC name of bis(1H-imidazol-2-yl)methanamine (CID 10219590) is bis(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for bis(1H-imidazol-2-yl)methanamine?
The canonical SMILES for bis(1H-imidazol-2-yl)methanamine is NC(c1ncc[nH]1)c1ncc[nH]1.
What is the InChIKey of bis(1H-imidazol-2-yl)methanamine?
The InChIKey is JBWNTRKSBCIBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c8-5(6-9-1-2-10-6)7-11-3-4-12-7/h1-5H,8H2,(H,9,10)(H,11,12).
What are the key properties of bis(1H-imidazol-2-yl)methanamine?
bis(1H-imidazol-2-yl)methanamine has a molecular weight of 163.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 10219590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).