1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole

C45H28Cl3F3N8 — CID 90094965

IUPAC1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole
SMILESClc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1.FC(F)(F)c1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C23H14ClF3N4.C22H14Cl2N4/c24-17-4-8-18(9-5-17)30-14-28-20-10-1-15(13-22(20)30)21-11-12-29-31(21)19-6-2-16(3-7-19)23(25,26)27;23-16-2-6-18(7-3-16)27-14-25-20-10-1-15(13-22(20)27)21-11-12-26-28(21)19-8-4-17(24)5-9-19/h1-14H;1-14H
InChIKeySNRXQPXJDHGOIE-UHFFFAOYSA-N
MW844.13 g/mol
LogP12.74
Rot. Bonds6

About 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole

1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole (PubChem CID 90094965) has the molecular formula C45H28Cl3F3N8 and a molecular weight of 844.13 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole
PubChem CID90094965
Molecular FormulaC45H28Cl3F3N8
Molecular Weight844.13 g/mol
Exact Mass842.15
IUPAC Name1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole
SMILESClc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1.FC(F)(F)c1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C23H14ClF3N4.C22H14Cl2N4/c24-17-4-8-18(9-5-17)30-14-28-20-10-1-15(13-22(20)30)21-11-12-29-31(21)19-6-2-16(3-7-19)23(25,26)27;23-16-2-6-18(7-3-16)27-14-25-20-10-1-15(13-22(20)27)21-11-12-26-28(21)19-8-4-17(24)5-9-19/h1-14H;1-14H
InChIKeySNRXQPXJDHGOIE-UHFFFAOYSA-N
XLogP12.74
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.13
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole?
The IUPAC name of 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole (CID 90094965) is 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole is Clc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1.FC(F)(F)c1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole?
The InChIKey is SNRXQPXJDHGOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N4.C22H14Cl2N4/c24-17-4-8-18(9-5-17)30-14-28-20-10-1-15(13-22(20)30)21-11-12-29-31(21)19-6-2-16(3-7-19)23(25,26)27;23-16-2-6-18(7-3-16)27-14-25-20-10-1-15(13-22(20)27)21-11-12-26-28(21)19-8-4-17(24)5-9-19/h1-14H;1-14H.
What are the key properties of 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole?
1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole has a molecular weight of 844.13 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-[2-(4-chlorophenyl)pyrazol-3-yl]benzimidazole;1-(4-chlorophenyl)-6-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzimidazole is sourced from PubChem (CID 90094965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).