1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole

C20H13ClF2N2 — CID 19243364

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
SMILESFc1ccccc1-c1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C20H13ClF2N2/c21-15-7-5-9-17(23)14(15)12-25-19-11-4-3-10-18(19)24-20(25)13-6-1-2-8-16(13)22/h1-11H,12H2
InChIKeyKDEMAUOOZRMMLJ-UHFFFAOYSA-N
MW354.79 g/mol
LogP5.68
Rot. Bonds3

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

1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole (PubChem CID 19243364) has the molecular formula C20H13ClF2N2 and a molecular weight of 354.79 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
PubChem CID19243364
Molecular FormulaC20H13ClF2N2
Molecular Weight354.79 g/mol
Exact Mass354.07
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
SMILESFc1ccccc1-c1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C20H13ClF2N2/c21-15-7-5-9-17(23)14(15)12-25-19-11-4-3-10-18(19)24-20(25)13-6-1-2-8-16(13)22/h1-11H,12H2
InChIKeyKDEMAUOOZRMMLJ-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.79
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
2-(2-fluorophenyl)-1-prop-2-ynylbenzimidazole
CID 19243357
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole (CID 19243364) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole is Fc1ccccc1-c1nc2ccccc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole?
The InChIKey is KDEMAUOOZRMMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2/c21-15-7-5-9-17(23)14(15)12-25-19-11-4-3-10-18(19)24-20(25)13-6-1-2-8-16(13)22/h1-11H,12H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole?
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole has a molecular weight of 354.79 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole is sourced from PubChem (CID 19243364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).