2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid

C17H21ClN4O2 — CID 84745452

IUPAC2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)c2c(Cl)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C17H21ClN4O2/c1-20-8-10-22(11-9-20)14(17(23)24)13-15(18)19-16(21(13)2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,23,24)
InChIKeyRSLAGVAWUCVNTO-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.11
Rot. Bonds4

About 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid

2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid (PubChem CID 84745452) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
PubChem CID84745452
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(C(C(=O)O)c2c(Cl)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C17H21ClN4O2/c1-20-8-10-22(11-9-20)14(17(23)24)13-15(18)19-16(21(13)2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,23,24)
InChIKeyRSLAGVAWUCVNTO-UHFFFAOYSA-N
XLogP2.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84745757
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(diethylamino)acetic acid
CID 84744703
2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid
CID 84743174
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84745436
1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 84743375
2-(1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
CID 84745657
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
CID 84745063
3-[(R)-carboxy-(4-methylpiperazin-1-yl)methyl]-1-methylindole-2-carboxylic acid
CID 51721321
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(dimethylamino)acetic acid
CID 84743858

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid (CID 84745452) is 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid is CN1CCN(C(C(=O)O)c2c(Cl)nc(-c3ccccc3)n2C)CC1.
What is the InChIKey of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
The InChIKey is RSLAGVAWUCVNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-20-8-10-22(11-9-20)14(17(23)24)13-15(18)19-16(21(13)2)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3,(H,23,24).
What are the key properties of 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid?
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid has a molecular weight of 348.83 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 84745452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).