3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one

C22H21N3O2 — CID 66961798

IUPAC3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one
SMILESCOc1cc(C(=O)CCn2ccc3ccccc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H21N3O2/c1-16-14-25(15-23-16)20-8-7-18(13-22(20)27-2)21(26)10-12-24-11-9-17-5-3-4-6-19(17)24/h3-9,11,13-15H,10,12H2,1-2H3
InChIKeyUDWVVHCMMIRQDO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.42
Rot. Bonds6

About 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one

3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one (PubChem CID 66961798) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one
PubChem CID66961798
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one
SMILESCOc1cc(C(=O)CCn2ccc3ccccc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H21N3O2/c1-16-14-25(15-23-16)20-8-7-18(13-22(20)27-2)21(26)10-12-24-11-9-17-5-3-4-6-19(17)24/h3-9,11,13-15H,10,12H2,1-2H3
InChIKeyUDWVVHCMMIRQDO-UHFFFAOYSA-N
XLogP4.42
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
3-[4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-2-yl]piperidin-1-yl]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-en-1-one
CID 77211930
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 66790742
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
3-(5-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691935

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one?
The IUPAC name of 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one (CID 66961798) is 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one?
The canonical SMILES for 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one is COc1cc(C(=O)CCn2ccc3ccccc32)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one?
The InChIKey is UDWVVHCMMIRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-14-25(15-23-16)20-8-7-18(13-22(20)27-2)21(26)10-12-24-11-9-17-5-3-4-6-19(17)24/h3-9,11,13-15H,10,12H2,1-2H3.
What are the key properties of 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one?
3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one has a molecular weight of 359.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 66961798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).