4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one

C20H19N3O3 — CID 91376144

IUPAC4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one
SMILESCn1c(O)c(Cc2c[nH]c3c(OCc4ccccc4)cccc23)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-23-19(24)16(22-20(23)25)10-14-11-21-18-15(14)8-5-9-17(18)26-12-13-6-3-2-4-7-13/h2-9,11,21,24H,10,12H2,1H3,(H,22,25)
InChIKeyMAWGFQHLVZHQER-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.07
Rot. Bonds5

About 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one

4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one (PubChem CID 91376144) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one
PubChem CID91376144
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one
SMILESCn1c(O)c(Cc2c[nH]c3c(OCc4ccccc4)cccc23)[nH]c1=O
InChIInChI=1S/C20H19N3O3/c1-23-19(24)16(22-20(23)25)10-14-11-21-18-15(14)8-5-9-17(18)26-12-13-6-3-2-4-7-13/h2-9,11,21,24H,10,12H2,1H3,(H,22,25)
InChIKeyMAWGFQHLVZHQER-UHFFFAOYSA-N
XLogP3.07
TPSA83.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-nitropropyl)-7-phenylmethoxy-1H-indole
CID 11461053
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 22309430
(2R)-2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 94021274
3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole
CID 11324286
13-methyl-5,21-bis(phenylmethoxy)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 11734329
(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 170876586
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
(5S)-1-phenyl-5-(7-phenylmethoxy-1H-indol-3-yl)pyrrolidin-2-one
CID 102198836
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
5-hydroxy-8-phenylmethoxy-1H-quinolin-2-one
CID 10400769
(3R)-3-(7-phenylmethoxy-1H-indol-3-yl)-3-prop-2-enyl-2H-isoindol-1-one
CID 53472915

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one (CID 91376144) is 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one is Cn1c(O)c(Cc2c[nH]c3c(OCc4ccccc4)cccc23)[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one?
The InChIKey is MAWGFQHLVZHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-19(24)16(22-20(23)25)10-14-11-21-18-15(14)8-5-9-17(18)26-12-13-6-3-2-4-7-13/h2-9,11,21,24H,10,12H2,1H3,(H,22,25).
What are the key properties of 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one?
4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one has a molecular weight of 349.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-[(7-phenylmethoxy-1H-indol-3-yl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 91376144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).