7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole

C17H10F2N2 — CID 162353197

IUPAC7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole
SMILESFc1cc2nc3cccc(-c4ccccc4)n3c2cc1F
InChIInChI=1S/C17H10F2N2/c18-12-9-14-16(10-13(12)19)21-15(7-4-8-17(21)20-14)11-5-2-1-3-6-11/h1-10H
InChIKeyACMVQJDIKSYAHH-UHFFFAOYSA-N
MW280.28 g/mol
LogP4.43
Rot. Bonds1

About 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole

7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole (PubChem CID 162353197) has the molecular formula C17H10F2N2 and a molecular weight of 280.28 g/mol. Its IUPAC name is 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole
PubChem CID162353197
Molecular FormulaC17H10F2N2
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole
SMILESFc1cc2nc3cccc(-c4ccccc4)n3c2cc1F
InChIInChI=1S/C17H10F2N2/c18-12-9-14-16(10-13(12)19)21-15(7-4-8-17(21)20-14)11-5-2-1-3-6-11/h1-10H
InChIKeyACMVQJDIKSYAHH-UHFFFAOYSA-N
XLogP4.43
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-1-methyl-3-phenylquinoxalin-2-one
CID 162418135
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 132502018
2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
CID 82146203
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
CID 122503020
2-chloro-6-fluoro-4-phenylpyridine
CID 118994306
3-(2-benzyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146243
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331
1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole
CID 118094571

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole?
The IUPAC name of 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole (CID 162353197) is 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole.
What is the SMILES notation for 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole?
The canonical SMILES for 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole is Fc1cc2nc3cccc(-c4ccccc4)n3c2cc1F.
What is the InChIKey of 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole?
The InChIKey is ACMVQJDIKSYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2/c18-12-9-14-16(10-13(12)19)21-15(7-4-8-17(21)20-14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole?
7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole has a molecular weight of 280.28 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-1-phenylpyrido[1,2-a]benzimidazole is sourced from PubChem (CID 162353197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).