4-pyrimido[1,2-a]benzimidazol-3-ylaniline

C16H12N4 — CID 53339263

IUPAC4-pyrimido[1,2-a]benzimidazol-3-ylaniline
SMILESNc1ccc(-c2cnc3nc4ccccc4n3c2)cc1
InChIInChI=1S/C16H12N4/c17-13-7-5-11(6-8-13)12-9-18-16-19-14-3-1-2-4-15(14)20(16)10-12/h1-10H,17H2
InChIKeyQGNZXWQKZFZTNQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.13
Rot. Bonds1

About 4-pyrimido[1,2-a]benzimidazol-3-ylaniline

4-pyrimido[1,2-a]benzimidazol-3-ylaniline (PubChem CID 53339263) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-pyrimido[1,2-a]benzimidazol-3-ylaniline.

Molecular Properties

Compound Name4-pyrimido[1,2-a]benzimidazol-3-ylaniline
PubChem CID53339263
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-pyrimido[1,2-a]benzimidazol-3-ylaniline
SMILESNc1ccc(-c2cnc3nc4ccccc4n3c2)cc1
InChIInChI=1S/C16H12N4/c17-13-7-5-11(6-8-13)12-9-18-16-19-14-3-1-2-4-15(14)20(16)10-12/h1-10H,17H2
InChIKeyQGNZXWQKZFZTNQ-UHFFFAOYSA-N
XLogP3.13
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.13
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

3-(3-methylphenyl)pyrimido[1,2-a]benzimidazole
CID 165178310
3-bromopyrimido[1,2-a]benzimidazole
CID 28819039
pyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 82401393
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole
CID 44577928
4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
CID 132528735
4-(5-phenyl-2-pyridinyl)aniline
CID 129035533
3-benzylpyrazino[1,2-a]benzimidazol-1-amine
CID 164617261
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
CID 161395332
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106

Frequently Asked Questions

What is the IUPAC name of 4-pyrimido[1,2-a]benzimidazol-3-ylaniline?
The IUPAC name of 4-pyrimido[1,2-a]benzimidazol-3-ylaniline (CID 53339263) is 4-pyrimido[1,2-a]benzimidazol-3-ylaniline.
What is the SMILES notation for 4-pyrimido[1,2-a]benzimidazol-3-ylaniline?
The canonical SMILES for 4-pyrimido[1,2-a]benzimidazol-3-ylaniline is Nc1ccc(-c2cnc3nc4ccccc4n3c2)cc1.
What is the InChIKey of 4-pyrimido[1,2-a]benzimidazol-3-ylaniline?
The InChIKey is QGNZXWQKZFZTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-13-7-5-11(6-8-13)12-9-18-16-19-14-3-1-2-4-15(14)20(16)10-12/h1-10H,17H2.
What are the key properties of 4-pyrimido[1,2-a]benzimidazol-3-ylaniline?
4-pyrimido[1,2-a]benzimidazol-3-ylaniline has a molecular weight of 260.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimido[1,2-a]benzimidazol-3-ylaniline is sourced from PubChem (CID 53339263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).