cyclohepta[e]benzimidazole-6,8-diamine

C12H10N4 — CID 172543834

IUPACcyclohepta[e]benzimidazole-6,8-diamine
SMILESNc1ccc2c(ccc3ncnc32)c(N)c1
InChIInChI=1S/C12H10N4/c13-7-1-2-9-8(10(14)5-7)3-4-11-12(9)16-6-15-11/h1-6H,13-14H2
InChIKeyUJOARBAPZJMDFJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.95
Rot. Bonds

About cyclohepta[e]benzimidazole-6,8-diamine

cyclohepta[e]benzimidazole-6,8-diamine (PubChem CID 172543834) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is cyclohepta[e]benzimidazole-6,8-diamine.

Molecular Properties

Compound Namecyclohepta[e]benzimidazole-6,8-diamine
PubChem CID172543834
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Namecyclohepta[e]benzimidazole-6,8-diamine
SMILESNc1ccc2c(ccc3ncnc32)c(N)c1
InChIInChI=1S/C12H10N4/c13-7-1-2-9-8(10(14)5-7)3-4-11-12(9)16-6-15-11/h1-6H,13-14H2
InChIKeyUJOARBAPZJMDFJ-UHFFFAOYSA-N
XLogP1.95
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[e]benzimidazole-6,8-diamine?
The IUPAC name of cyclohepta[e]benzimidazole-6,8-diamine (CID 172543834) is cyclohepta[e]benzimidazole-6,8-diamine.
What is the SMILES notation for cyclohepta[e]benzimidazole-6,8-diamine?
The canonical SMILES for cyclohepta[e]benzimidazole-6,8-diamine is Nc1ccc2c(ccc3ncnc32)c(N)c1.
What is the InChIKey of cyclohepta[e]benzimidazole-6,8-diamine?
The InChIKey is UJOARBAPZJMDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-7-1-2-9-8(10(14)5-7)3-4-11-12(9)16-6-15-11/h1-6H,13-14H2.
What are the key properties of cyclohepta[e]benzimidazole-6,8-diamine?
cyclohepta[e]benzimidazole-6,8-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[e]benzimidazole-6,8-diamine is sourced from PubChem (CID 172543834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).