1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline

C24H15N3OS — CID 171774104

IUPAC1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline
SMILESc1ccc2c(c1)ncn2-c1nc(-c2ccoc2)c(-c2ccsc2)c2ccccc12
InChIInChI=1S/C24H15N3OS/c1-2-6-19-18(5-1)22(17-10-12-29-14-17)23(16-9-11-28-13-16)26-24(19)27-15-25-20-7-3-4-8-21(20)27/h1-15H
InChIKeyZMLWSIOKJYPASZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP6.56
Rot. Bonds3

About 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline

1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline (PubChem CID 171774104) has the molecular formula C24H15N3OS and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline
PubChem CID171774104
Molecular FormulaC24H15N3OS
Molecular Weight393.47 g/mol
Exact Mass393.09
IUPAC Name1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline
SMILESc1ccc2c(c1)ncn2-c1nc(-c2ccoc2)c(-c2ccsc2)c2ccccc12
InChIInChI=1S/C24H15N3OS/c1-2-6-19-18(5-1)22(17-10-12-29-14-17)23(16-9-11-28-13-16)26-24(19)27-15-25-20-7-3-4-8-21(20)27/h1-15H
InChIKeyZMLWSIOKJYPASZ-UHFFFAOYSA-N
XLogP6.56
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline 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-(benzimidazol-1-yl)-5-bromoisoquinoline
CID 106543714
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
CID 17417188
4-imidazol-1-yl-2-thiophen-3-ylquinazoline
CID 17392212
3-[5-(furan-3-yl)benzimidazol-1-yl]phenol
CID 70101805
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
2-(benzimidazol-1-yl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
CID 122162969
4-(benzimidazol-1-yl)pyrazolo[1,5-a]pyrazine
CID 104734400
6-thiophen-3-ylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 62707655
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline (CID 171774104) is 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline is c1ccc2c(c1)ncn2-c1nc(-c2ccoc2)c(-c2ccsc2)c2ccccc12.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline?
The InChIKey is ZMLWSIOKJYPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3OS/c1-2-6-19-18(5-1)22(17-10-12-29-14-17)23(16-9-11-28-13-16)26-24(19)27-15-25-20-7-3-4-8-21(20)27/h1-15H.
What are the key properties of 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline?
1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline has a molecular weight of 393.47 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(furan-3-yl)-4-thiophen-3-ylisoquinoline is sourced from PubChem (CID 171774104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).