1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole

C24H21ClF2N4 — CID 153290712

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole
SMILESFc1ccc(Cn2c(N3CCNCC3)nc3c(-c4ccccc4F)cccc32)cc1Cl
InChIInChI=1S/C24H21ClF2N4/c25-19-14-16(8-9-21(19)27)15-31-22-7-3-5-18(17-4-1-2-6-20(17)26)23(22)29-24(31)30-12-10-28-11-13-30/h1-9,14,28H,10-13,15H2
InChIKeyLHWVZUOCSPIZDW-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.09
Rot. Bonds4

About 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole

1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole (PubChem CID 153290712) has the molecular formula C24H21ClF2N4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole
PubChem CID153290712
Molecular FormulaC24H21ClF2N4
Molecular Weight438.91 g/mol
Exact Mass438.14
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole
SMILESFc1ccc(Cn2c(N3CCNCC3)nc3c(-c4ccccc4F)cccc32)cc1Cl
InChIInChI=1S/C24H21ClF2N4/c25-19-14-16(8-9-21(19)27)15-31-22-7-3-5-18(17-4-1-2-6-20(17)26)23(22)29-24(31)30-12-10-28-11-13-30/h1-9,14,28H,10-13,15H2
InChIKeyLHWVZUOCSPIZDW-UHFFFAOYSA-N
XLogP5.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole (CID 153290712) is 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole is Fc1ccc(Cn2c(N3CCNCC3)nc3c(-c4ccccc4F)cccc32)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole?
The InChIKey is LHWVZUOCSPIZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N4/c25-19-14-16(8-9-21(19)27)15-31-22-7-3-5-18(17-4-1-2-6-20(17)26)23(22)29-24(31)30-12-10-28-11-13-30/h1-9,14,28H,10-13,15H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole?
1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole has a molecular weight of 438.91 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 153290712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).