2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid

C33H28F2N2O3 — CID 10209030

IUPAC2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
InChIKeySOPBXOVESODUSC-UHFFFAOYSA-N
MW538.59 g/mol
LogP8.35
Rot. Bonds7

About 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid

2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid (PubChem CID 10209030) has the molecular formula C33H28F2N2O3 and a molecular weight of 538.59 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
PubChem CID10209030
Molecular FormulaC33H28F2N2O3
Molecular Weight538.59 g/mol
Exact Mass538.21
IUPAC Name2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)cc1)n2C1CCCCC1
InChIInChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
InChIKeySOPBXOVESODUSC-UHFFFAOYSA-N
XLogP8.35
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.59
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-(6-((4-Cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2S)-2-oxetanylmethyl)-1H-benzimidazole-6-carboxylic acid
CID 134611040
2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
CID 134611223
Mchb-1
CID 44561533
Jtk-109
CID 11686018
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
Naperiglipron
CID 155433819
(2e)-2-(3-Fluoranyl-4-Methoxy-Phenyl)imino-1-[[2-(Trifluoromethyl)phenyl]methyl]-3h-Benzimidazole-5-Carboxylic Acid
CID 25165666
4-{(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylethoxy}-3-Fluorobenzoic Acid
CID 126962415
4-{(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylethoxy}benzoic Acid
CID 126962416
1-[3-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 155294513
2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxylic acid
CID 25164463
KSP Inhibitor, 4g
CID 25164869

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid (CID 10209030) is 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)cc1)n2C1CCCCC1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
The InChIKey is SOPBXOVESODUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39).
What are the key properties of 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid?
2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid has a molecular weight of 538.59 g/mol, XLogP of 8.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 10209030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).