benzo[h]quinazoline;2,3-dihydro-1H-imidazole

C15H14N4 — CID 67192891

IUPACbenzo[h]quinazoline;2,3-dihydro-1H-imidazole
SMILESC1=CNCN1.c1ccc2c(c1)ccc1cncnc12
InChIInChI=1S/C12H8N2.C3H6N2/c1-2-4-11-9(3-1)5-6-10-7-13-8-14-12(10)11;1-2-5-3-4-1/h1-8H;1-2,4-5H,3H2
InChIKeyJANNBLVATRUHMP-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.39
Rot. Bonds

About benzo[h]quinazoline;2,3-dihydro-1H-imidazole

benzo[h]quinazoline;2,3-dihydro-1H-imidazole (PubChem CID 67192891) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is benzo[h]quinazoline;2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Namebenzo[h]quinazoline;2,3-dihydro-1H-imidazole
PubChem CID67192891
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Namebenzo[h]quinazoline;2,3-dihydro-1H-imidazole
SMILESC1=CNCN1.c1ccc2c(c1)ccc1cncnc12
InChIInChI=1S/C12H8N2.C3H6N2/c1-2-4-11-9(3-1)5-6-10-7-13-8-14-12(10)11;1-2-5-3-4-1/h1-8H;1-2,4-5H,3H2
InChIKeyJANNBLVATRUHMP-UHFFFAOYSA-N
XLogP2.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[h]quinazoline;2,3-dihydro-1H-imidazole?
The IUPAC name of benzo[h]quinazoline;2,3-dihydro-1H-imidazole (CID 67192891) is benzo[h]quinazoline;2,3-dihydro-1H-imidazole.
What is the SMILES notation for benzo[h]quinazoline;2,3-dihydro-1H-imidazole?
The canonical SMILES for benzo[h]quinazoline;2,3-dihydro-1H-imidazole is C1=CNCN1.c1ccc2c(c1)ccc1cncnc12.
What is the InChIKey of benzo[h]quinazoline;2,3-dihydro-1H-imidazole?
The InChIKey is JANNBLVATRUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C3H6N2/c1-2-4-11-9(3-1)5-6-10-7-13-8-14-12(10)11;1-2-5-3-4-1/h1-8H;1-2,4-5H,3H2.
What are the key properties of benzo[h]quinazoline;2,3-dihydro-1H-imidazole?
benzo[h]quinazoline;2,3-dihydro-1H-imidazole has a molecular weight of 250.31 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinazoline;2,3-dihydro-1H-imidazole is sourced from PubChem (CID 67192891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).