[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C20H27N5O2 — CID 120997600

IUPAC[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCC(N4CCNCC4)C3)c(C)[nH]2)c1
InChIInChI=1S/C20H27N5O2/c1-14-18(23-19(22-14)15-4-3-5-17(12-15)27-2)20(26)25-9-6-16(13-25)24-10-7-21-8-11-24/h3-5,12,16,21H,6-11,13H2,1-2H3,(H,22,23)
InChIKeyBAWXWXRIUKODST-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.51
Rot. Bonds4

About [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120997600) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120997600
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCC(N4CCNCC4)C3)c(C)[nH]2)c1
InChIInChI=1S/C20H27N5O2/c1-14-18(23-19(22-14)15-4-3-5-17(12-15)27-2)20(26)25-9-6-16(13-25)24-10-7-21-8-11-24/h3-5,12,16,21H,6-11,13H2,1-2H3,(H,22,23)
InChIKeyBAWXWXRIUKODST-UHFFFAOYSA-N
XLogP1.51
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997868
(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995788
(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994712
(5-methoxy-3-methyl-1-benzothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997914
(3-piperazin-1-ylpyrrolidin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 120997118
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
2-(4-methoxyphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996072
(4-bromo-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994588
(2-chloro-5-phenylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997706
[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56873824
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120997600) is [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is COc1cccc(-c2nc(C(=O)N3CCC(N4CCNCC4)C3)c(C)[nH]2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is BAWXWXRIUKODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-18(23-19(22-14)15-4-3-5-17(12-15)27-2)20(26)25-9-6-16(13-25)24-10-7-21-8-11-24/h3-5,12,16,21H,6-11,13H2,1-2H3,(H,22,23).
What are the key properties of [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120997600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).