2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid

C24H25N3O3 — CID 170715846

IUPAC2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cn(-c2ccccc2)c(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C24H25N3O3/c28-22(29)17-27(20-14-8-3-9-15-20)24(30)21-16-26(19-12-6-2-7-13-19)23(25-21)18-10-4-1-5-11-18/h1-2,4-7,10-13,16,20H,3,8-9,14-15,17H2,(H,28,29)
InChIKeyRSYXRFXPIKURMN-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.40
Rot. Bonds6

About 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid

2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid (PubChem CID 170715846) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid
PubChem CID170715846
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cn(-c2ccccc2)c(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C24H25N3O3/c28-22(29)17-27(20-14-8-3-9-15-20)24(30)21-16-26(19-12-6-2-7-13-19)23(25-21)18-10-4-1-5-11-18/h1-2,4-7,10-13,16,20H,3,8-9,14-15,17H2,(H,28,29)
InChIKeyRSYXRFXPIKURMN-UHFFFAOYSA-N
XLogP4.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid (CID 170715846) is 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1cn(-c2ccccc2)c(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is RSYXRFXPIKURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22(29)17-27(20-14-8-3-9-15-20)24(30)21-16-26(19-12-6-2-7-13-19)23(25-21)18-10-4-1-5-11-18/h1-2,4-7,10-13,16,20H,3,8-9,14-15,17H2,(H,28,29).
What are the key properties of 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid?
2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 403.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(1,2-diphenylimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 170715846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).