2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole

C13H15ClN2O2 — CID 174681039

IUPAC2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole
SMILESCCc1cnc(C)[nH]1.O=C(O)c1ccccc1Cl
InChIInChI=1S/C7H5ClO2.C6H10N2/c8-6-4-2-1-3-5(6)7(9)10;1-3-6-4-7-5(2)8-6/h1-4H,(H,9,10);4H,3H2,1-2H3,(H,7,8)
InChIKeyKVSURQBZAQTHMG-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.32
Rot. Bonds2

About 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole

2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole (PubChem CID 174681039) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole.

Molecular Properties

Compound Name2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole
PubChem CID174681039
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole
SMILESCCc1cnc(C)[nH]1.O=C(O)c1ccccc1Cl
InChIInChI=1S/C7H5ClO2.C6H10N2/c8-6-4-2-1-3-5(6)7(9)10;1-3-6-4-7-5(2)8-6/h1-4H,(H,9,10);4H,3H2,1-2H3,(H,7,8)
InChIKeyKVSURQBZAQTHMG-UHFFFAOYSA-N
XLogP3.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromobenzoic acid;5-butyl-2-methyl-1H-imidazole
CID 174693347
5-ethyl-2-methyl-1H-imidazole;methoxy(methyl)phosphinic acid
CID 175266048
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
2-ethylbenzoic acid;tungsten
CID 23518478
2-chlorobenzoic acid;3-chloro-5-methylheptane
CID 67681246
2-aminoethanol;2-chlorobenzoic acid
CID 86075909
5-chloro-2-[2-(2-methylphenyl)ethoxy]pyridine-3-carboxylic acid
CID 57432301
4-bromobenzoic acid;5-butyl-2-methyl-1H-imidazole
CID 174834013
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole
CID 174836740

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole?
The IUPAC name of 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole (CID 174681039) is 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole.
What is the SMILES notation for 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole?
The canonical SMILES for 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole is CCc1cnc(C)[nH]1.O=C(O)c1ccccc1Cl.
What is the InChIKey of 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole?
The InChIKey is KVSURQBZAQTHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.C6H10N2/c8-6-4-2-1-3-5(6)7(9)10;1-3-6-4-7-5(2)8-6/h1-4H,(H,9,10);4H,3H2,1-2H3,(H,7,8).
What are the key properties of 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole?
2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole has a molecular weight of 266.73 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzoic acid;5-ethyl-2-methyl-1H-imidazole is sourced from PubChem (CID 174681039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).