1-N,2-N-dibenzylimidazole-1,2-diamine

C17H18N4 — CID 174735131

IUPAC1-N,2-N-dibenzylimidazole-1,2-diamine
SMILESc1ccc(CNc2nccn2NCc2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-3-7-15(8-4-1)13-19-17-18-11-12-21(17)20-14-16-9-5-2-6-10-16/h1-12,20H,13-14H2,(H,18,19)
InChIKeyCCEQTISRFQMBLB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.24
Rot. Bonds6

About 1-N,2-N-dibenzylimidazole-1,2-diamine

1-N,2-N-dibenzylimidazole-1,2-diamine (PubChem CID 174735131) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-N,2-N-dibenzylimidazole-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dibenzylimidazole-1,2-diamine
PubChem CID174735131
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-N,2-N-dibenzylimidazole-1,2-diamine
SMILESc1ccc(CNc2nccn2NCc2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-3-7-15(8-4-1)13-19-17-18-11-12-21(17)20-14-16-9-5-2-6-10-16/h1-12,20H,13-14H2,(H,18,19)
InChIKeyCCEQTISRFQMBLB-UHFFFAOYSA-N
XLogP3.24
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dibenzylimidazole-1,2-diamine?
The IUPAC name of 1-N,2-N-dibenzylimidazole-1,2-diamine (CID 174735131) is 1-N,2-N-dibenzylimidazole-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dibenzylimidazole-1,2-diamine?
The canonical SMILES for 1-N,2-N-dibenzylimidazole-1,2-diamine is c1ccc(CNc2nccn2NCc2ccccc2)cc1.
What is the InChIKey of 1-N,2-N-dibenzylimidazole-1,2-diamine?
The InChIKey is CCEQTISRFQMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-7-15(8-4-1)13-19-17-18-11-12-21(17)20-14-16-9-5-2-6-10-16/h1-12,20H,13-14H2,(H,18,19).
What are the key properties of 1-N,2-N-dibenzylimidazole-1,2-diamine?
1-N,2-N-dibenzylimidazole-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dibenzylimidazole-1,2-diamine is sourced from PubChem (CID 174735131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).