3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole

C22H22ClN3O3 — CID 10949660

IUPAC3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc3c(Cl)cn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C22H22ClN3O3/c1-25-11-16(23)15-7-6-13(8-17(15)25)21-20(24-12-26(21)2)14-9-18(27-3)22(29-5)19(10-14)28-4/h6-12H,1-5H3
InChIKeyOCFPUSJZCVLXHL-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.93
Rot. Bonds5

About 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole

3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (PubChem CID 10949660) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.

Molecular Properties

Compound Name3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
PubChem CID10949660
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc3c(Cl)cn(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C22H22ClN3O3/c1-25-11-16(23)15-7-6-13(8-17(15)25)21-20(24-12-26(21)2)14-9-18(27-3)22(29-5)19(10-14)28-4/h6-12H,1-5H3
InChIKeyOCFPUSJZCVLXHL-UHFFFAOYSA-N
XLogP4.93
TPSA50.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The IUPAC name of 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole (CID 10949660) is 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole.
What is the SMILES notation for 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The canonical SMILES for 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is COc1cc(-c2ncn(C)c2-c2ccc3c(Cl)cn(C)c3c2)cc(OC)c1OC.
What is the InChIKey of 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
The InChIKey is OCFPUSJZCVLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-25-11-16(23)15-7-6-13(8-17(15)25)21-20(24-12-26(21)2)14-9-18(27-3)22(29-5)19(10-14)28-4/h6-12H,1-5H3.
What are the key properties of 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole?
3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole has a molecular weight of 411.89 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-6-[3-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]indole is sourced from PubChem (CID 10949660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).