di(imidazol-1-yl)methanamine

C7H9N5 — CID 66874404

IUPACdi(imidazol-1-yl)methanamine
SMILESNC(n1ccnc1)n1ccnc1
InChIInChI=1S/C7H9N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-7H,8H2
InChIKeyHBPTWIBLUCHDMI-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.04
Rot. Bonds2

About di(imidazol-1-yl)methanamine

di(imidazol-1-yl)methanamine (PubChem CID 66874404) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is di(imidazol-1-yl)methanamine.

Molecular Properties

Compound Namedi(imidazol-1-yl)methanamine
PubChem CID66874404
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Namedi(imidazol-1-yl)methanamine
SMILESNC(n1ccnc1)n1ccnc1
InChIInChI=1S/C7H9N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-7H,8H2
InChIKeyHBPTWIBLUCHDMI-UHFFFAOYSA-N
XLogP0.04
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanamine?
The IUPAC name of di(imidazol-1-yl)methanamine (CID 66874404) is di(imidazol-1-yl)methanamine.
What is the SMILES notation for di(imidazol-1-yl)methanamine?
The canonical SMILES for di(imidazol-1-yl)methanamine is NC(n1ccnc1)n1ccnc1.
What is the InChIKey of di(imidazol-1-yl)methanamine?
The InChIKey is HBPTWIBLUCHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-7H,8H2.
What are the key properties of di(imidazol-1-yl)methanamine?
di(imidazol-1-yl)methanamine has a molecular weight of 163.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for di(imidazol-1-yl)methanamine is sourced from PubChem (CID 66874404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).