3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

C16H14FN3 — CID 60783990

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2[nH]c(C3Cc4ccccc4CN3)nc12
InChIInChI=1S/C16H14FN3/c17-12-6-3-7-13-15(12)20-16(19-13)14-8-10-4-1-2-5-11(10)9-18-14/h1-7,14,18H,8-9H2,(H,19,20)
InChIKeyAAXACJPCTHKXSK-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.09
Rot. Bonds1

About 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 60783990) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID60783990
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2[nH]c(C3Cc4ccccc4CN3)nc12
InChIInChI=1S/C16H14FN3/c17-12-6-3-7-13-15(12)20-16(19-13)14-8-10-4-1-2-5-11(10)9-18-14/h1-7,14,18H,8-9H2,(H,19,20)
InChIKeyAAXACJPCTHKXSK-UHFFFAOYSA-N
XLogP3.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 60783990) is 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is Fc1cccc2[nH]c(C3Cc4ccccc4CN3)nc12.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AAXACJPCTHKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-12-6-3-7-13-15(12)20-16(19-13)14-8-10-4-1-2-5-11(10)9-18-14/h1-7,14,18H,8-9H2,(H,19,20).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 267.31 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 60783990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).