6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid

C19H23N3O3 — CID 70465065

IUPAC6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid
SMILESCOc1ccc2c(c1)c(C)c(-n1ccnc1)n2CCCCCC(=O)O
InChIInChI=1S/C19H23N3O3/c1-14-16-12-15(25-2)7-8-17(16)22(10-5-3-4-6-18(23)24)19(14)21-11-9-20-13-21/h7-9,11-13H,3-6,10H2,1-2H3,(H,23,24)
InChIKeyDVHOUHGOBNFHJL-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.79
Rot. Bonds8

About 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid

6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid (PubChem CID 70465065) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid
PubChem CID70465065
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid
SMILESCOc1ccc2c(c1)c(C)c(-n1ccnc1)n2CCCCCC(=O)O
InChIInChI=1S/C19H23N3O3/c1-14-16-12-15(25-2)7-8-17(16)22(10-5-3-4-6-18(23)24)19(14)21-11-9-20-13-21/h7-9,11-13H,3-6,10H2,1-2H3,(H,23,24)
InChIKeyDVHOUHGOBNFHJL-UHFFFAOYSA-N
XLogP3.79
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid?
The IUPAC name of 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid (CID 70465065) is 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid.
What is the SMILES notation for 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid?
The canonical SMILES for 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid is COc1ccc2c(c1)c(C)c(-n1ccnc1)n2CCCCCC(=O)O.
What is the InChIKey of 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid?
The InChIKey is DVHOUHGOBNFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-16-12-15(25-2)7-8-17(16)22(10-5-3-4-6-18(23)24)19(14)21-11-9-20-13-21/h7-9,11-13H,3-6,10H2,1-2H3,(H,23,24).
What are the key properties of 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid?
6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-yl-5-methoxy-3-methylindol-1-yl)hexanoic acid is sourced from PubChem (CID 70465065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).