benzimidazolo[2,1-a]phthalazin-10-amine

C14H10N4 — CID 5304821

IUPACbenzimidazolo[2,1-a]phthalazin-10-amine
SMILESNc1ccc2c(c1)nc1c3ccccc3cnn21
InChIInChI=1S/C14H10N4/c15-10-5-6-13-12(7-10)17-14-11-4-2-1-3-9(11)8-16-18(13)14/h1-8H,15H2
InChIKeyQGSUPDVDIRBVKZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.62
Rot. Bonds

About benzimidazolo[2,1-a]phthalazin-10-amine

benzimidazolo[2,1-a]phthalazin-10-amine (PubChem CID 5304821) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is benzimidazolo[2,1-a]phthalazin-10-amine.

Molecular Properties

Compound Namebenzimidazolo[2,1-a]phthalazin-10-amine
PubChem CID5304821
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Namebenzimidazolo[2,1-a]phthalazin-10-amine
SMILESNc1ccc2c(c1)nc1c3ccccc3cnn21
InChIInChI=1S/C14H10N4/c15-10-5-6-13-12(7-10)17-14-11-4-2-1-3-9(11)8-16-18(13)14/h1-8H,15H2
InChIKeyQGSUPDVDIRBVKZ-UHFFFAOYSA-N
XLogP2.62
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-phenylindazol-5-amine
CID 83414114
5-amino-2-indazol-1-ylbenzonitrile
CID 55040979
1-hydroxyindazol-5-amine
CID 144847821
acridine;acridine-3,6-diamine
CID 21276006
2-methylbenzimidazole-1,5-diamine
CID 83418174
3-bromo-4-indazol-1-ylaniline
CID 62140535
indazolo[3,2-c][1,2,4]benzotriazin-2-amine
CID 89229338
1-pyridin-2-ylindazol-6-amine
CID 61176394
1-naphthalen-2-ylbenzimidazol-5-amine
CID 62507384
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674

Frequently Asked Questions

What is the IUPAC name of benzimidazolo[2,1-a]phthalazin-10-amine?
The IUPAC name of benzimidazolo[2,1-a]phthalazin-10-amine (CID 5304821) is benzimidazolo[2,1-a]phthalazin-10-amine.
What is the SMILES notation for benzimidazolo[2,1-a]phthalazin-10-amine?
The canonical SMILES for benzimidazolo[2,1-a]phthalazin-10-amine is Nc1ccc2c(c1)nc1c3ccccc3cnn21.
What is the InChIKey of benzimidazolo[2,1-a]phthalazin-10-amine?
The InChIKey is QGSUPDVDIRBVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-10-5-6-13-12(7-10)17-14-11-4-2-1-3-9(11)8-16-18(13)14/h1-8H,15H2.
What are the key properties of benzimidazolo[2,1-a]phthalazin-10-amine?
benzimidazolo[2,1-a]phthalazin-10-amine has a molecular weight of 234.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[2,1-a]phthalazin-10-amine is sourced from PubChem (CID 5304821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).