1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone

C24H23N3O3 — CID 161085278

IUPAC1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2cn(Cc3cccc(-n4cccc4)c3)cn2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-29-23-9-8-19(13-24(23)30-2)22(28)14-20-16-26(17-25-20)15-18-6-5-7-21(12-18)27-10-3-4-11-27/h3-13,16-17H,14-15H2,1-2H3
InChIKeyWKHKWNWBZNOPQN-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.16
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone

1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone (PubChem CID 161085278) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
PubChem CID161085278
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2cn(Cc3cccc(-n4cccc4)c3)cn2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-29-23-9-8-19(13-24(23)30-2)22(28)14-20-16-26(17-25-20)15-18-6-5-7-21(12-18)27-10-3-4-11-27/h3-13,16-17H,14-15H2,1-2H3
InChIKeyWKHKWNWBZNOPQN-UHFFFAOYSA-N
XLogP4.16
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(3,4-dihydroxyphenyl)ethanone
CID 161085274
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-(6-methoxy-2-pyridinyl)ethanone
CID 160953842
2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid
CID 82485425
3,4-dimethoxy-N-[1-[(3-phenoxyphenyl)methyl]imidazol-4-yl]benzamide
CID 130384416
2-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1-quinolin-3-ylethanone
CID 160953844
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
1-(3,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanone
CID 65134393
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-ethoxy-4-methoxyphenyl)propanamide
CID 119717688
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103442

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone (CID 161085278) is 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone is COc1ccc(C(=O)Cc2cn(Cc3cccc(-n4cccc4)c3)cn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?
The InChIKey is WKHKWNWBZNOPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-23-9-8-19(13-24(23)30-2)22(28)14-20-16-26(17-25-20)15-18-6-5-7-21(12-18)27-10-3-4-11-27/h3-13,16-17H,14-15H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone?
1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone has a molecular weight of 401.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[1-[(3-pyrrol-1-ylphenyl)methyl]imidazol-4-yl]ethanone is sourced from PubChem (CID 161085278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).