4-phenylpyrimido[1,2-a]benzimidazol-2-amine

C16H12N4 — CID 2825239

IUPAC4-phenylpyrimido[1,2-a]benzimidazol-2-amine
SMILESNc1cc(-c2ccccc2)n2c(n1)nc1ccccc12
InChIInChI=1S/C16H12N4/c17-15-10-14(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)18-16(20)19-15/h1-10H,(H2,17,18,19)
InChIKeyRAHMEIYSYSLMKE-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.13
Rot. Bonds1

About 4-phenylpyrimido[1,2-a]benzimidazol-2-amine

4-phenylpyrimido[1,2-a]benzimidazol-2-amine (PubChem CID 2825239) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-phenylpyrimido[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-phenylpyrimido[1,2-a]benzimidazol-2-amine
PubChem CID2825239
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-phenylpyrimido[1,2-a]benzimidazol-2-amine
SMILESNc1cc(-c2ccccc2)n2c(n1)nc1ccccc12
InChIInChI=1S/C16H12N4/c17-15-10-14(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)18-16(20)19-15/h1-10H,(H2,17,18,19)
InChIKeyRAHMEIYSYSLMKE-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

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Related Compounds

4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 132502018
2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958
2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502940
4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-[4-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)naphthalen-1-yl]benzonitrile
CID 122504593
2-[4-[3-(benzenesulfinyl)phenyl]naphthalen-1-yl]-4-phenylpyrimido[1,2-a]benzimidazole
CID 122503029
8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
CID 122503020
4-(3-phenylpyrimido[1,2-a]benzimidazol-4-yl)benzene-1,3-diol
CID 136824529
4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 122378727
4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
CID 12782582
9-phenyl-6-[10-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)anthracen-9-yl]carbazole-3-carbonitrile
CID 122502970

Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrimido[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-phenylpyrimido[1,2-a]benzimidazol-2-amine (CID 2825239) is 4-phenylpyrimido[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-phenylpyrimido[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-phenylpyrimido[1,2-a]benzimidazol-2-amine is Nc1cc(-c2ccccc2)n2c(n1)nc1ccccc12.
What is the InChIKey of 4-phenylpyrimido[1,2-a]benzimidazol-2-amine?
The InChIKey is RAHMEIYSYSLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-15-10-14(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)18-16(20)19-15/h1-10H,(H2,17,18,19).
What are the key properties of 4-phenylpyrimido[1,2-a]benzimidazol-2-amine?
4-phenylpyrimido[1,2-a]benzimidazol-2-amine 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-phenylpyrimido[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 2825239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).