2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

C23H20FN3 — CID 3851461

IUPAC2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCc1cccc(C2CC(c3ccc(F)cc3)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C23H20FN3/c1-15-5-4-6-17(13-15)22-14-20(16-9-11-18(24)12-10-16)26-23-25-19-7-2-3-8-21(19)27(22)23/h2-13,20,22H,14H2,1H3,(H,25,26)
InChIKeyNKFAXMRHBWNQGC-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.63
Rot. Bonds2

About 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 3851461) has the molecular formula C23H20FN3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID3851461
Molecular FormulaC23H20FN3
Molecular Weight357.43 g/mol
Exact Mass357.16
IUPAC Name2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCc1cccc(C2CC(c3ccc(F)cc3)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C23H20FN3/c1-15-5-4-6-17(13-15)22-14-20(16-9-11-18(24)12-10-16)26-23-25-19-7-2-3-8-21(19)27(22)23/h2-13,20,22H,14H2,1H3,(H,25,26)
InChIKeyNKFAXMRHBWNQGC-UHFFFAOYSA-N
XLogP5.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (CID 3851461) is 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is Cc1cccc(C2CC(c3ccc(F)cc3)Nc3nc4ccccc4n32)c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is NKFAXMRHBWNQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3/c1-15-5-4-6-17(13-15)22-14-20(16-9-11-18(24)12-10-16)26-23-25-19-7-2-3-8-21(19)27(22)23/h2-13,20,22H,14H2,1H3,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 357.43 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 3851461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).