6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine

C31H18FN3O2 — CID 156669142

IUPAC6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2oc3cc(F)cnc3c12
InChIInChI=1S/C31H18FN3O2/c1-17-13-14-21(30-27(17)28-26(37-30)15-18(32)16-33-28)31-34-22-9-3-4-10-23(22)35(31)24-11-6-8-20-19-7-2-5-12-25(19)36-29(20)24/h2-16H,1H3
InChIKeyKDFCJNRIKFBMQN-UHFFFAOYSA-N
MW483.50 g/mol
LogP8.33
Rot. Bonds2

About 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine

6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 156669142) has the molecular formula C31H18FN3O2 and a molecular weight of 483.50 g/mol. Its IUPAC name is 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine
PubChem CID156669142
Molecular FormulaC31H18FN3O2
Molecular Weight483.50 g/mol
Exact Mass483.14
IUPAC Name6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccc(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2oc3cc(F)cnc3c12
InChIInChI=1S/C31H18FN3O2/c1-17-13-14-21(30-27(17)28-26(37-30)15-18(32)16-33-28)31-34-22-9-3-4-10-23(22)35(31)24-11-6-8-20-19-7-2-5-12-25(19)36-29(20)24/h2-16H,1H3
InChIKeyKDFCJNRIKFBMQN-UHFFFAOYSA-N
XLogP8.33
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.50
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
CID 53299389
2-[5-[[2-Ethyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155519560
2-[5-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155525586
2-[5-[[2-Butyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155531970
2-[4-[[2-Butyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155535137
2-[5-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155539281
2-[5-[[4-Methyl-6-(4-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155541169
2-[4-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155550437
2-[4-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155553011
2-[5-[[4-Methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155553981
2-[4-[[4-Methyl-6-(4-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155558947
2-[4-[[2-Ethyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155560093

Frequently Asked Questions

What is the IUPAC name of 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine (CID 156669142) is 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine is Cc1ccc(-c2nc3ccccc3n2-c2cccc3c2oc2ccccc23)c2oc3cc(F)cnc3c12.
What is the InChIKey of 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is KDFCJNRIKFBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18FN3O2/c1-17-13-14-21(30-27(17)28-26(37-30)15-18(32)16-33-28)31-34-22-9-3-4-10-23(22)35(31)24-11-6-8-20-19-7-2-5-12-25(19)36-29(20)24/h2-16H,1H3.
What are the key properties of 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine?
6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 483.50 g/mol, XLogP of 8.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3-fluoro-9-methyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 156669142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).