1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid

C18H23N3O4 — CID 120539085

IUPAC1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C18H23N3O4/c22-15(20-18(16(23)24)9-3-1-2-4-10-18)13-5-7-14(8-6-13)21-12-11-19-17(21)25/h5-8H,1-4,9-12H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyWPHSYCJHRSOMEX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.12
Rot. Bonds4

About 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid

1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120539085) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120539085
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C18H23N3O4/c22-15(20-18(16(23)24)9-3-1-2-4-10-18)13-5-7-14(8-6-13)21-12-11-19-17(21)25/h5-8H,1-4,9-12H2,(H,19,25)(H,20,22)(H,23,24)
InChIKeyWPHSYCJHRSOMEX-UHFFFAOYSA-N
XLogP2.12
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120540235
N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 126834041
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate
CID 55969090
1-[(4-pyrrol-1-ylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164274
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51298991
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 45427860
N-(2,6-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 110857589
7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid
CID 119227169

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid (CID 120539085) is 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCCC1)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is WPHSYCJHRSOMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-15(20-18(16(23)24)9-3-1-2-4-10-18)13-5-7-14(8-6-13)21-12-11-19-17(21)25/h5-8H,1-4,9-12H2,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid?
1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120539085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).