3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine

C16H15ClN4 — CID 15423183

IUPAC3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine
SMILESNc1nc(Cl)cc2nc3c(n12)CC(c1ccccc1)CC3
InChIInChI=1S/C16H15ClN4/c17-14-9-15-19-12-7-6-11(10-4-2-1-3-5-10)8-13(12)21(15)16(18)20-14/h1-5,9,11H,6-8H2,(H2,18,20)
InChIKeyPQWRICCTLGISEQ-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.24
Rot. Bonds1

About 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine

3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine (PubChem CID 15423183) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine.

Molecular Properties

Compound Name3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine
PubChem CID15423183
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine
SMILESNc1nc(Cl)cc2nc3c(n12)CC(c1ccccc1)CC3
InChIInChI=1S/C16H15ClN4/c17-14-9-15-19-12-7-6-11(10-4-2-1-3-5-10)8-13(12)21(15)16(18)20-14/h1-5,9,11H,6-8H2,(H2,18,20)
InChIKeyPQWRICCTLGISEQ-UHFFFAOYSA-N
XLogP3.24
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine?
The IUPAC name of 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine (CID 15423183) is 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine.
What is the SMILES notation for 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine?
The canonical SMILES for 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine is Nc1nc(Cl)cc2nc3c(n12)CC(c1ccccc1)CC3.
What is the InChIKey of 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine?
The InChIKey is PQWRICCTLGISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-14-9-15-19-12-7-6-11(10-4-2-1-3-5-10)8-13(12)21(15)16(18)20-14/h1-5,9,11H,6-8H2,(H2,18,20).
What are the key properties of 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine?
3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine has a molecular weight of 298.78 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-phenyl-6,7,8,9-tetrahydropyrimido[1,6-a]benzimidazol-1-amine is sourced from PubChem (CID 15423183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).