2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole

C26H19BrClFN4 — CID 143720020

IUPAC2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cc3)n(C3CC3)c2c1
InChIInChI=1S/C26H19BrClFN4/c1-14-5-12-20-21(13-14)33(17-10-11-17)26(30-20)16-8-6-15(7-9-16)23-24(27)32-25(31-23)22-18(28)3-2-4-19(22)29/h2-9,12-13,17H,10-11H2,1H3,(H,31,32)
InChIKeyBNHOQGMCRXYCRW-UHFFFAOYSA-N
MW521.82 g/mol
LogP7.96
Rot. Bonds4

About 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole

2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole (PubChem CID 143720020) has the molecular formula C26H19BrClFN4 and a molecular weight of 521.82 g/mol. Its IUPAC name is 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole.

Molecular Properties

Compound Name2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole
PubChem CID143720020
Molecular FormulaC26H19BrClFN4
Molecular Weight521.82 g/mol
Exact Mass520.05
IUPAC Name2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cc3)n(C3CC3)c2c1
InChIInChI=1S/C26H19BrClFN4/c1-14-5-12-20-21(13-14)33(17-10-11-17)26(30-20)16-8-6-15(7-9-16)23-24(27)32-25(31-23)22-18(28)3-2-4-19(22)29/h2-9,12-13,17H,10-11H2,1H3,(H,31,32)
InChIKeyBNHOQGMCRXYCRW-UHFFFAOYSA-N
XLogP7.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.82
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole?
The IUPAC name of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole (CID 143720020) is 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole.
What is the SMILES notation for 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole?
The canonical SMILES for 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole is Cc1ccc2nc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cc3)n(C3CC3)c2c1.
What is the InChIKey of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole?
The InChIKey is BNHOQGMCRXYCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrClFN4/c1-14-5-12-20-21(13-14)33(17-10-11-17)26(30-20)16-8-6-15(7-9-16)23-24(27)32-25(31-23)22-18(28)3-2-4-19(22)29/h2-9,12-13,17H,10-11H2,1H3,(H,31,32).
What are the key properties of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole?
2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole has a molecular weight of 521.82 g/mol, XLogP of 7.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-1-cyclopropyl-6-methylbenzimidazole is sourced from PubChem (CID 143720020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).