6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride

C89H56Cl5F9N8O9S3 — CID 167596152

IUPAC6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride
SMILESClc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21
InChIInChI=1S/2C24H14ClF3N2O2S.C17H11ClN2.C11H8O.C7H4ClF3O2S.C6H5ClN2O2/c25-17-10-13-22-21(14-17)29-23(20-7-3-5-15-4-1-2-6-19(15)20)30(22)33(31,32)18-11-8-16(9-12-18)24(26,27)28;25-17-10-13-21-22(14-17)30(33(31,32)18-11-8-16(9-12-18)24(26,27)28)23(29-21)20-7-3-5-15-4-1-2-6-19(15)20;18-12-8-9-15-16(10-12)20-17(19-15)14-7-3-5-11-4-1-2-6-13(11)14;12-8-10-6-3-5-9-4-1-2-7-11(9)10;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-14H;1-10H,(H,19,20);1-8H;1-4H;1-3H,8H2
InChIKeyJCBVBFCIWLUGAY-UHFFFAOYSA-N
MW1825.92 g/mol
LogP25.68
Rot. Bonds10

About 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride

6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 167596152) has the molecular formula C89H56Cl5F9N8O9S3 and a molecular weight of 1825.92 g/mol. Its IUPAC name is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID167596152
Molecular FormulaC89H56Cl5F9N8O9S3
Molecular Weight1825.92 g/mol
Exact Mass1822.16
IUPAC Name6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride
SMILESClc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21
InChIInChI=1S/2C24H14ClF3N2O2S.C17H11ClN2.C11H8O.C7H4ClF3O2S.C6H5ClN2O2/c25-17-10-13-22-21(14-17)29-23(20-7-3-5-15-4-1-2-6-19(15)20)30(22)33(31,32)18-11-8-16(9-12-18)24(26,27)28;25-17-10-13-21-22(14-17)30(33(31,32)18-11-8-16(9-12-18)24(26,27)28)23(29-21)20-7-3-5-15-4-1-2-6-19(15)20;18-12-8-9-15-16(10-12)20-17(19-15)14-7-3-5-11-4-1-2-6-13(11)14;12-8-10-6-3-5-9-4-1-2-7-11(9)10;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-14H;1-10H,(H,19,20);1-8H;1-4H;1-3H,8H2
InChIKeyJCBVBFCIWLUGAY-UHFFFAOYSA-N
XLogP25.68
TPSA252.97 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001825.92
LogP ≤ 525.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride (CID 167596152) is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride is Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12.O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is JCBVBFCIWLUGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H14ClF3N2O2S.C17H11ClN2.C11H8O.C7H4ClF3O2S.C6H5ClN2O2/c25-17-10-13-22-21(14-17)29-23(20-7-3-5-15-4-1-2-6-19(15)20)30(22)33(31,32)18-11-8-16(9-12-18)24(26,27)28;25-17-10-13-21-22(14-17)30(33(31,32)18-11-8-16(9-12-18)24(26,27)28)23(29-21)20-7-3-5-15-4-1-2-6-19(15)20;18-12-8-9-15-16(10-12)20-17(19-15)14-7-3-5-11-4-1-2-6-13(11)14;12-8-10-6-3-5-9-4-1-2-7-11(9)10;8-14(12,13)6-3-1-5(2-4-6)7(9,10)11;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-14H;1-10H,(H,19,20);1-8H;1-4H;1-3H,8H2.
What are the key properties of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride?
6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 1825.92 g/mol, XLogP of 25.68, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;5-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;6-chloro-2-naphthalen-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 167596152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).