6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole

C20H13Cl2FN2 — CID 134083711

IUPAC6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole
SMILESFc1c(Cl)cccc1Cn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H13Cl2FN2/c21-15-9-10-17-18(11-15)25(12-14-7-4-8-16(22)19(14)23)20(24-17)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyRKEDAMRHPRRYCX-UHFFFAOYSA-N
MW371.24 g/mol
LogP6.20
Rot. Bonds3

About 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole

6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole (PubChem CID 134083711) has the molecular formula C20H13Cl2FN2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole
PubChem CID134083711
Molecular FormulaC20H13Cl2FN2
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole
SMILESFc1c(Cl)cccc1Cn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H13Cl2FN2/c21-15-9-10-17-18(11-15)25(12-14-7-4-8-16(22)19(14)23)20(24-17)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyRKEDAMRHPRRYCX-UHFFFAOYSA-N
XLogP6.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.24
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole?
The IUPAC name of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole (CID 134083711) is 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole.
What is the SMILES notation for 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole?
The canonical SMILES for 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole is Fc1c(Cl)cccc1Cn1c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole?
The InChIKey is RKEDAMRHPRRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2/c21-15-9-10-17-18(11-15)25(12-14-7-4-8-16(22)19(14)23)20(24-17)13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole?
6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole has a molecular weight of 371.24 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole is sourced from PubChem (CID 134083711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).