4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium

C17H14N3+ — CID 6154216

IUPAC4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium
SMILESCc1cc(-c2ccccc2)nc2[nH]c3ccccc3[n+]12
InChIInChI=1S/C17H13N3/c1-12-11-15(13-7-3-2-4-8-13)19-17-18-14-9-5-6-10-16(14)20(12)17/h2-11H,1H3/p+1
InChIKeyZEFUWSSBHKDYKT-UHFFFAOYSA-O
MW260.32 g/mol
LogP3.28
Rot. Bonds1

About 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium

4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium (PubChem CID 6154216) has the molecular formula C17H14N3+ and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium.

Molecular Properties

Compound Name4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium
PubChem CID6154216
Molecular FormulaC17H14N3+
Molecular Weight260.32 g/mol
Exact Mass260.12
IUPAC Name4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium
SMILESCc1cc(-c2ccccc2)nc2[nH]c3ccccc3[n+]12
InChIInChI=1S/C17H13N3/c1-12-11-15(13-7-3-2-4-8-13)19-17-18-14-9-5-6-10-16(14)20(12)17/h2-11H,1H3/p+1
InChIKeyZEFUWSSBHKDYKT-UHFFFAOYSA-O
XLogP3.28
TPSA32.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium?
The IUPAC name of 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium (CID 6154216) is 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium.
What is the SMILES notation for 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium?
The canonical SMILES for 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium is Cc1cc(-c2ccccc2)nc2[nH]c3ccccc3[n+]12.
What is the InChIKey of 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium?
The InChIKey is ZEFUWSSBHKDYKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H13N3/c1-12-11-15(13-7-3-2-4-8-13)19-17-18-14-9-5-6-10-16(14)20(12)17/h2-11H,1H3/p+1.
What are the key properties of 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium?
4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium has a molecular weight of 260.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-10H-pyrimido[1,2-a]benzimidazol-5-ium is sourced from PubChem (CID 6154216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).