8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine

C31H21FN4O — CID 176756353

IUPAC8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc(-n2c(-c3ccc(-c4ccc(F)cc4)c4c3oc3cnccc34)nc3ccccc32)cc(C)n1
InChIInChI=1S/C31H21FN4O/c1-18-15-22(16-19(2)34-18)36-27-6-4-3-5-26(27)35-31(36)25-12-11-23(20-7-9-21(32)10-8-20)29-24-13-14-33-17-28(24)37-30(25)29/h3-17H,1-2H3
InChIKeyFLVITCZKEWVDCV-UHFFFAOYSA-N
MW484.53 g/mol
LogP7.80
Rot. Bonds3

About 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine

8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 176756353) has the molecular formula C31H21FN4O and a molecular weight of 484.53 g/mol. Its IUPAC name is 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine
PubChem CID176756353
Molecular FormulaC31H21FN4O
Molecular Weight484.53 g/mol
Exact Mass484.17
IUPAC Name8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc(-n2c(-c3ccc(-c4ccc(F)cc4)c4c3oc3cnccc34)nc3ccccc32)cc(C)n1
InChIInChI=1S/C31H21FN4O/c1-18-15-22(16-19(2)34-18)36-27-6-4-3-5-26(27)35-31(36)25-12-11-23(20-7-9-21(32)10-8-20)29-24-13-14-33-17-28(24)37-30(25)29/h3-17H,1-2H3
InChIKeyFLVITCZKEWVDCV-UHFFFAOYSA-N
XLogP7.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
1-(2-Benzofuranyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 54580415
(4-(3'-Methoxy-3,4'-bipyridin-2-yloxy)phenyl)(1-methyl-1h-benzo[d]imidazol-2-yl)methanone
CID 46214213
US10676479, Example 95
CID 139346167
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine
CID 663455
2-ethyl-N-(quinoxalin-6-yl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6602826
2-ethyl-N-(3-imidazol-1-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603227
N-(3-(1H-imidazol-1-yl)propyl)benzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 6603365
1-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-3-ethyl-1H-benzo[d]imidazol-2(3H)-one
CID 52918207
(S)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54580238
(R)-3-(1-(4-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54581233

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine (CID 176756353) is 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine is Cc1cc(-n2c(-c3ccc(-c4ccc(F)cc4)c4c3oc3cnccc34)nc3ccccc32)cc(C)n1.
What is the InChIKey of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is FLVITCZKEWVDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN4O/c1-18-15-22(16-19(2)34-18)36-27-6-4-3-5-26(27)35-31(36)25-12-11-23(20-7-9-21(32)10-8-20)29-24-13-14-33-17-28(24)37-30(25)29/h3-17H,1-2H3.
What are the key properties of 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine?
8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 484.53 g/mol, XLogP of 7.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 176756353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).