4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

C22H18ClN3 — CID 3823858

IUPAC4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESClc1cccc(C2CC(c3ccccc3)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C22H18ClN3/c23-17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)25-22-24-18-11-4-5-12-20(18)26(21)22/h1-13,19,21H,14H2,(H,24,25)
InChIKeyJJSDXACYAZGSPD-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.84
Rot. Bonds2

About 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 3823858) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID3823858
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESClc1cccc(C2CC(c3ccccc3)Nc3nc4ccccc4n32)c1
InChIInChI=1S/C22H18ClN3/c23-17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)25-22-24-18-11-4-5-12-20(18)26(21)22/h1-13,19,21H,14H2,(H,24,25)
InChIKeyJJSDXACYAZGSPD-UHFFFAOYSA-N
XLogP5.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (CID 3823858) is 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is Clc1cccc(C2CC(c3ccccc3)Nc3nc4ccccc4n32)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is JJSDXACYAZGSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c23-17-10-6-9-16(13-17)21-14-19(15-7-2-1-3-8-15)25-22-24-18-11-4-5-12-20(18)26(21)22/h1-13,19,21H,14H2,(H,24,25).
What are the key properties of 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 359.86 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 3823858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).