4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole

C20H19N3O — CID 56863418

IUPAC4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole
SMILESCCOc1ccc(-c2nccn2Cc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H19N3O/c1-2-24-17-8-6-15(7-9-17)20-22-12-13-23(20)14-16-4-3-5-19-18(16)10-11-21-19/h3-13,21H,2,14H2,1H3
InChIKeyQLPWGEYEOPIMHF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.48
Rot. Bonds5

About 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole

4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole (PubChem CID 56863418) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole
PubChem CID56863418
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole
SMILESCCOc1ccc(-c2nccn2Cc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H19N3O/c1-2-24-17-8-6-15(7-9-17)20-22-12-13-23(20)14-16-4-3-5-19-18(16)10-11-21-19/h3-13,21H,2,14H2,1H3
InChIKeyQLPWGEYEOPIMHF-UHFFFAOYSA-N
XLogP4.48
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-1H-indole
CID 141124806
(R)-[1-(1H-indol-4-ylmethyl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516631
N-[(4-ethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160301
3-(1H-indol-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
CID 39794219
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
CID 146147973
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
4-[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 102855873
2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343
3-[3-(4-ethoxyphenyl)phenyl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 127028022
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole?
The IUPAC name of 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole (CID 56863418) is 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole.
What is the SMILES notation for 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole?
The canonical SMILES for 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole is CCOc1ccc(-c2nccn2Cc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole?
The InChIKey is QLPWGEYEOPIMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-24-17-8-6-15(7-9-17)20-22-12-13-23(20)14-16-4-3-5-19-18(16)10-11-21-19/h3-13,21H,2,14H2,1H3.
What are the key properties of 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole?
4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole has a molecular weight of 317.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethoxyphenyl)imidazol-1-yl]methyl]-1H-indole is sourced from PubChem (CID 56863418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).