[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone

C21H23N5O — CID 90560712

IUPAC[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c27-21(19-8-4-5-9-22-19)26-16-13-24(14-17-26)12-15-25-11-10-23-20(25)18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyGLHUHLGDEBBMQN-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.40
Rot. Bonds5

About [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone

[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 90560712) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID90560712
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c27-21(19-8-4-5-9-22-19)26-16-13-24(14-17-26)12-15-25-11-10-23-20(25)18-6-2-1-3-7-18/h1-11H,12-17H2
InChIKeyGLHUHLGDEBBMQN-UHFFFAOYSA-N
XLogP2.40
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 90560710
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560726
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
4-chloro-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 90560596
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90560608
3-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzonitrile
CID 90560720
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 90560712) is [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GLHUHLGDEBBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(19-8-4-5-9-22-19)26-16-13-24(14-17-26)12-15-25-11-10-23-20(25)18-6-2-1-3-7-18/h1-11H,12-17H2.
What are the key properties of [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone?
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 90560712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).