2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole

C28H18N4OS — CID 141156860

IUPAC2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole
SMILESc1ccc(-c2sc(-c3ccco3)c(-c3cc4ccccc4[nH]3)c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C28H18N4OS/c1-2-9-18-17(8-1)16-22(30-18)24-25(28-31-19-10-3-4-11-20(19)32-28)26(21-12-5-6-14-29-21)34-27(24)23-13-7-15-33-23/h1-16,30H,(H,31,32)
InChIKeyLWOUQFLHZGAZLF-UHFFFAOYSA-N
MW458.55 g/mol
LogP7.76
Rot. Bonds4

About 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole

2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole (PubChem CID 141156860) has the molecular formula C28H18N4OS and a molecular weight of 458.55 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole
PubChem CID141156860
Molecular FormulaC28H18N4OS
Molecular Weight458.55 g/mol
Exact Mass458.12
IUPAC Name2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole
SMILESc1ccc(-c2sc(-c3ccco3)c(-c3cc4ccccc4[nH]3)c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C28H18N4OS/c1-2-9-18-17(8-1)16-22(30-18)24-25(28-31-19-10-3-4-11-20(19)32-28)26(21-12-5-6-14-29-21)34-27(24)23-13-7-15-33-23/h1-16,30H,(H,31,32)
InChIKeyLWOUQFLHZGAZLF-UHFFFAOYSA-N
XLogP7.76
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.55
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Rhodanines, 29A
CID 24756228
1-[4-[2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophen-2-yl]ethanone
CID 76329006
9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-2,4,5,6,7,9-hexahydropyrrolo[3,4-b]quinolin-8-one
CID 118725516
6-(furan-2-yl)-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine
CID 23025554
2-benzyl-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025562
6-(furan-2-yl)-2-phenyl-1H-imidazo[4,5-b]pyridine
CID 23025770
6-(furan-2-yl)-2-[2-(4-methylphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 23026001
(2S)-1-N-[6-tert-butyl-7-(furan-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596444
N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 138961941
5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 138961944
1-cyclopentyl-N-[[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 138961947
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde
CID 71524888

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole (CID 141156860) is 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole is c1ccc(-c2sc(-c3ccco3)c(-c3cc4ccccc4[nH]3)c2-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole?
The InChIKey is LWOUQFLHZGAZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4OS/c1-2-9-18-17(8-1)16-22(30-18)24-25(28-31-19-10-3-4-11-20(19)32-28)26(21-12-5-6-14-29-21)34-27(24)23-13-7-15-33-23/h1-16,30H,(H,31,32).
What are the key properties of 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole?
2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole has a molecular weight of 458.55 g/mol, XLogP of 7.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-4-(1H-indol-2-yl)-2-pyridin-2-ylthiophen-3-yl]-1H-benzimidazole is sourced from PubChem (CID 141156860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).