6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole

C24H20ClN3O — CID 59267685

IUPAC6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole
SMILESCc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C
InChIInChI=1S/C24H20ClN3O/c1-14-4-6-18(10-15(14)2)29-24-26-21-12-19(20(25)13-22(21)27-24)16-5-7-23-17(11-16)8-9-28(23)3/h4-13H,1-3H3,(H,26,27)
InChIKeyUMSCFMXIFHRXSQ-UHFFFAOYSA-N
MW401.90 g/mol
LogP6.78
Rot. Bonds3

About 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole

6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole (PubChem CID 59267685) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole
PubChem CID59267685
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole
SMILESCc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C
InChIInChI=1S/C24H20ClN3O/c1-14-4-6-18(10-15(14)2)29-24-26-21-12-19(20(25)13-22(21)27-24)16-5-7-23-17(11-16)8-9-28(23)3/h4-13H,1-3H3,(H,26,27)
InChIKeyUMSCFMXIFHRXSQ-UHFFFAOYSA-N
XLogP6.78
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 45256693
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CID 45273893
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CID 145952545
CID 145952545
CID 134263414
CID 134263414
CID 155808283
CID 155808283
CID 122195765
CID 122195765
CID 122195770
CID 122195770
CID 11154330
CID 11154330
CID 45256692
CID 45256692
CID 58043018
CID 58043018
CID 58318544
CID 58318544
CID 58318554
CID 58318554

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole (CID 59267685) is 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole is Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C.
What is the InChIKey of 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole?
The InChIKey is UMSCFMXIFHRXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-14-4-6-18(10-15(14)2)29-24-26-21-12-19(20(25)13-22(21)27-24)16-5-7-23-17(11-16)8-9-28(23)3/h4-13H,1-3H3,(H,26,27).
What are the key properties of 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole?
6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole has a molecular weight of 401.90 g/mol, XLogP of 6.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 59267685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).