3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

C19H25N5O2 — CID 118767137

IUPAC3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCOCCn1c(C)cc2cc(NC(=O)N(C)Cc3ncc(C)[nH]3)ccc21
InChIInChI=1S/C19H25N5O2/c1-13-11-20-18(21-13)12-23(3)19(25)22-16-5-6-17-15(10-16)9-14(2)24(17)7-8-26-4/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,21)(H,22,25)
InChIKeyGWLCLFSNECBQCL-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.29
Rot. Bonds6

About 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 118767137) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
PubChem CID118767137
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCOCCn1c(C)cc2cc(NC(=O)N(C)Cc3ncc(C)[nH]3)ccc21
InChIInChI=1S/C19H25N5O2/c1-13-11-20-18(21-13)12-23(3)19(25)22-16-5-6-17-15(10-16)9-14(2)24(17)7-8-26-4/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,21)(H,22,25)
InChIKeyGWLCLFSNECBQCL-UHFFFAOYSA-N
XLogP3.29
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (CID 118767137) is 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is COCCn1c(C)cc2cc(NC(=O)N(C)Cc3ncc(C)[nH]3)ccc21.
What is the InChIKey of 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is GWLCLFSNECBQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-11-20-18(21-13)12-23(3)19(25)22-16-5-6-17-15(10-16)9-14(2)24(17)7-8-26-4/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,21)(H,22,25).
What are the key properties of 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 355.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-2-methylindol-5-yl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 118767137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).