3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine

C19H11ClFN5 — CID 122195775

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2nc3ncccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H11ClFN5/c20-12-4-7-14-15(10-12)24-18(23-14)17-16(11-2-5-13(21)6-3-11)25-19-22-8-1-9-26(17)19/h1-10H,(H,23,24)
InChIKeyPFKZCJFDTNMPIX-UHFFFAOYSA-N
MW363.78 g/mol
LogP4.73
Rot. Bonds2

About 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine

3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 122195775) has the molecular formula C19H11ClFN5 and a molecular weight of 363.78 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
PubChem CID122195775
Molecular FormulaC19H11ClFN5
Molecular Weight363.78 g/mol
Exact Mass363.07
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2nc3ncccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H11ClFN5/c20-12-4-7-14-15(10-12)24-18(23-14)17-16(11-2-5-13(21)6-3-11)25-19-22-8-1-9-26(17)19/h1-10H,(H,23,24)
InChIKeyPFKZCJFDTNMPIX-UHFFFAOYSA-N
XLogP4.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine (CID 122195775) is 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine is Fc1ccc(-c2nc3ncccn3c2-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is PFKZCJFDTNMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5/c20-12-4-7-14-15(10-12)24-18(23-14)17-16(11-2-5-13(21)6-3-11)25-19-22-8-1-9-26(17)19/h1-10H,(H,23,24).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine?
3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 363.78 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122195775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).