2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid

C10H14ClN3O3 — CID 84742598

IUPAC2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid
SMILESCc1nc(Cl)c(C(C(=O)O)N2CCOCC2)[nH]1
InChIInChI=1S/C10H14ClN3O3/c1-6-12-7(9(11)13-6)8(10(15)16)14-2-4-17-5-3-14/h8H,2-5H2,1H3,(H,12,13)(H,15,16)
InChIKeyNHDIVEMFECDRPW-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid

2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid (PubChem CID 84742598) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid
PubChem CID84742598
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid
SMILESCc1nc(Cl)c(C(C(=O)O)N2CCOCC2)[nH]1
InChIInChI=1S/C10H14ClN3O3/c1-6-12-7(9(11)13-6)8(10(15)16)14-2-4-17-5-3-14/h8H,2-5H2,1H3,(H,12,13)(H,15,16)
InChIKeyNHDIVEMFECDRPW-UHFFFAOYSA-N
XLogP0.83
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(4-phenylpiperazin-1-yl)acetic acid
CID 84745063
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84741318
2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
CID 18957404
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid
CID 84744613
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
2-(4-chloro-1H-imidazol-5-yl)-2-piperidin-1-ylacetic acid
CID 84741549
2-(7-chloro-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetic acid
CID 43803331
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84743603
2-(4-tert-butylpiperazin-1-yl)-2-(2,5-dimethyl-1H-imidazol-4-yl)acetic acid
CID 84743903
2-(3-cyclopropylimidazol-4-yl)-2-morpholin-4-ylacetic acid
CID 66141667

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid (CID 84742598) is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid is Cc1nc(Cl)c(C(C(=O)O)N2CCOCC2)[nH]1.
What is the InChIKey of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid?
The InChIKey is NHDIVEMFECDRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6-12-7(9(11)13-6)8(10(15)16)14-2-4-17-5-3-14/h8H,2-5H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid?
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid has a molecular weight of 259.69 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 84742598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).