2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

C24H22FN3O2 — CID 19741640

IUPAC2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
SMILESO=C(O)CC1CCCc2c1n(Cc1cccc(-n3ccnc3)c1)c1ccc(F)cc21
InChIInChI=1S/C24H22FN3O2/c25-18-7-8-22-21(13-18)20-6-2-4-17(12-23(29)30)24(20)28(22)14-16-3-1-5-19(11-16)27-10-9-26-15-27/h1,3,5,7-11,13,15,17H,2,4,6,12,14H2,(H,29,30)
InChIKeyUKQCPEITHTUINJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.91
Rot. Bonds5

About 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid (PubChem CID 19741640) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
PubChem CID19741640
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
SMILESO=C(O)CC1CCCc2c1n(Cc1cccc(-n3ccnc3)c1)c1ccc(F)cc21
InChIInChI=1S/C24H22FN3O2/c25-18-7-8-22-21(13-18)20-6-2-4-17(12-23(29)30)24(20)28(22)14-16-3-1-5-19(11-16)27-10-9-26-15-27/h1,3,5,7-11,13,15,17H,2,4,6,12,14H2,(H,29,30)
InChIKeyUKQCPEITHTUINJ-UHFFFAOYSA-N
XLogP4.91
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid 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 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid (CID 19741640) is 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid is O=C(O)CC1CCCc2c1n(Cc1cccc(-n3ccnc3)c1)c1ccc(F)cc21.
What is the InChIKey of 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
The InChIKey is UKQCPEITHTUINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-18-7-8-22-21(13-18)20-6-2-4-17(12-23(29)30)24(20)28(22)14-16-3-1-5-19(11-16)27-10-9-26-15-27/h1,3,5,7-11,13,15,17H,2,4,6,12,14H2,(H,29,30).
What are the key properties of 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid?
2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid has a molecular weight of 403.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-9-[(3-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid is sourced from PubChem (CID 19741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).