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

C20H14FN5O — CID 122195777

IUPAC2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc2nc(-c3c(-c4ccc(F)cc4)nc4ncccn34)[nH]c2c1
InChIInChI=1S/C20H14FN5O/c1-27-14-7-8-15-16(11-14)24-19(23-15)18-17(12-3-5-13(21)6-4-12)25-20-22-9-2-10-26(18)20/h2-11H,1H3,(H,23,24)
InChIKeyHQQKLRMBBJVLIJ-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.09
Rot. Bonds3

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

2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine (PubChem CID 122195777) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine
PubChem CID122195777
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc2nc(-c3c(-c4ccc(F)cc4)nc4ncccn34)[nH]c2c1
InChIInChI=1S/C20H14FN5O/c1-27-14-7-8-15-16(11-14)24-19(23-15)18-17(12-3-5-13(21)6-4-12)25-20-22-9-2-10-26(18)20/h2-11H,1H3,(H,23,24)
InChIKeyHQQKLRMBBJVLIJ-UHFFFAOYSA-N
XLogP4.09
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Raf265
CID 11656518
Omeprazole sulfide
CID 155794
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
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2-Aminobenzimidazole, 12
CID 17755723
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine (CID 122195777) is 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine is COc1ccc2nc(-c3c(-c4ccc(F)cc4)nc4ncccn34)[nH]c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is HQQKLRMBBJVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c1-27-14-7-8-15-16(11-14)24-19(23-15)18-17(12-3-5-13(21)6-4-12)25-20-22-9-2-10-26(18)20/h2-11H,1H3,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine?
2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 359.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122195777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).