[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone

C23H27N5O2 — CID 23110210

IUPAC[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(C)CC3(C)C)cn2-c2ccccc2)cn1
InChIInChI=1S/C23H27N5O2/c1-23(2)16-26(3)12-13-28(23)22(29)19-15-27(18-8-6-5-7-9-18)21(25-19)17-10-11-20(30-4)24-14-17/h5-11,14-15H,12-13,16H2,1-4H3
InChIKeyOJQFZGOXWBUPPJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.11
Rot. Bonds4

About [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone

[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone (PubChem CID 23110210) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone
PubChem CID23110210
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(C)CC3(C)C)cn2-c2ccccc2)cn1
InChIInChI=1S/C23H27N5O2/c1-23(2)16-26(3)12-13-28(23)22(29)19-15-27(18-8-6-5-7-9-18)21(25-19)17-10-11-20(30-4)24-14-17/h5-11,14-15H,12-13,16H2,1-4H3
InChIKeyOJQFZGOXWBUPPJ-UHFFFAOYSA-N
XLogP3.11
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone (CID 23110210) is [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone is COc1ccc(-c2nc(C(=O)N3CCN(C)CC3(C)C)cn2-c2ccccc2)cn1.
What is the InChIKey of [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is OJQFZGOXWBUPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-23(2)16-26(3)12-13-28(23)22(29)19-15-27(18-8-6-5-7-9-18)21(25-19)17-10-11-20(30-4)24-14-17/h5-11,14-15H,12-13,16H2,1-4H3.
What are the key properties of [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone?
[2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3-pyridinyl)-1-phenylimidazol-4-yl]-(2,2,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 23110210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).