1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

C35H28FN3O2 — CID 5276011

IUPAC1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cc3ccc(-c4ccccc4-c4ccccc4)nc3cc1F)n2C1CCCCC1
InChIInChI=1S/C35H28FN3O2/c36-29-21-31-23(15-17-30(37-31)27-14-8-7-13-26(27)22-9-3-1-4-10-22)19-28(29)34-38-32-20-24(35(40)41)16-18-33(32)39(34)25-11-5-2-6-12-25/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,40,41)
InChIKeyHNTUQQPISDJRNG-UHFFFAOYSA-N
MW541.63 g/mol
LogP8.93
Rot. Bonds5

About 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid (PubChem CID 5276011) has the molecular formula C35H28FN3O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
PubChem CID5276011
Molecular FormulaC35H28FN3O2
Molecular Weight541.63 g/mol
Exact Mass541.22
IUPAC Name1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cc3ccc(-c4ccccc4-c4ccccc4)nc3cc1F)n2C1CCCCC1
InChIInChI=1S/C35H28FN3O2/c36-29-21-31-23(15-17-30(37-31)27-14-8-7-13-26(27)22-9-3-1-4-10-22)19-28(29)34-38-32-20-24(35(40)41)16-18-33(32)39(34)25-11-5-2-6-12-25/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,40,41)
InChIKeyHNTUQQPISDJRNG-UHFFFAOYSA-N
XLogP8.93
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.63
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic 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 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid (CID 5276011) is 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cc3ccc(-c4ccccc4-c4ccccc4)nc3cc1F)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The InChIKey is HNTUQQPISDJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28FN3O2/c36-29-21-31-23(15-17-30(37-31)27-14-8-7-13-26(27)22-9-3-1-4-10-22)19-28(29)34-38-32-20-24(35(40)41)16-18-33(32)39(34)25-11-5-2-6-12-25/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,40,41).
What are the key properties of 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid has a molecular weight of 541.63 g/mol, XLogP of 8.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[7-fluoro-2-(2-phenylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5276011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).