(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene

C18H15N5 — CID 11358523

IUPAC(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene
SMILESCCc1c(/N=N/c2ccccc2)cnc2nc3ccccc3n12
InChIInChI=1S/C18H15N5/c1-2-16-15(22-21-13-8-4-3-5-9-13)12-19-18-20-14-10-6-7-11-17(14)23(16)18/h3-12H,2H2,1H3/b22-21+
InChIKeyPYDAZKYUINXOIF-QURGRASLSA-N
MW301.35 g/mol
LogP4.86
Rot. Bonds3

About (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene

(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene (PubChem CID 11358523) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene.

Molecular Properties

Compound Name(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene
PubChem CID11358523
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene
SMILESCCc1c(/N=N/c2ccccc2)cnc2nc3ccccc3n12
InChIInChI=1S/C18H15N5/c1-2-16-15(22-21-13-8-4-3-5-9-13)12-19-18-20-14-10-6-7-11-17(14)23(16)18/h3-12H,2H2,1H3/b22-21+
InChIKeyPYDAZKYUINXOIF-QURGRASLSA-N
XLogP4.86
TPSA54.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol
CID 136824529
phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene
CID 14906114
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
15-ethyl-14λ6-thia-2,9,11,15-tetrazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),3,5,7,9,11,16,18,20-nonaene 14,14-dioxide
CID 45104986
4-[(1-ethylbenzimidazol-2-yl)diazenyl]phenol
CID 3140422
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole
CID 14245741
2,9,11,15,21-pentazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),3,5,7,9,11,16,18,20-nonaen-14-one
CID 3654821
2-methyl-4-propylpyrimido[1,2-a]benzimidazole
CID 102439815
4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
ethane;(2-methylphenyl)-phenyldiazene;propane
CID 143988882
9-ethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 118440323

Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene?
The IUPAC name of (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene (CID 11358523) is (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene.
What is the SMILES notation for (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene?
The canonical SMILES for (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene is CCc1c(/N=N/c2ccccc2)cnc2nc3ccccc3n12.
What is the InChIKey of (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene?
The InChIKey is PYDAZKYUINXOIF-QURGRASLSA-N. The full InChI is InChI=1S/C18H15N5/c1-2-16-15(22-21-13-8-4-3-5-9-13)12-19-18-20-14-10-6-7-11-17(14)23(16)18/h3-12H,2H2,1H3/b22-21+.
What are the key properties of (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene?
(4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene has a molecular weight of 301.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpyrimido[1,2-a]benzimidazol-3-yl)-phenyldiazene is sourced from PubChem (CID 11358523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).