2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide

C23H32ClN3O5 — CID 22041628

IUPAC2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide
SMILESCOCC(O)Cn1c(C)cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c1=O
InChIInChI=1S/C23H32ClN3O5/c1-15-12-27(23(31)26(15)13-18(28)14-32-2)17-9-10-20(24)19(11-17)22(30)25-21(29)16-7-5-3-4-6-8-16/h9-12,16,18,21,28-29H,3-8,13-14H2,1-2H3,(H,25,30)
InChIKeyRHOUHPWZIJJAIN-UHFFFAOYSA-N
MW465.98 g/mol
LogP2.63
Rot. Bonds8

About 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide

2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide (PubChem CID 22041628) has the molecular formula C23H32ClN3O5 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide
PubChem CID22041628
Molecular FormulaC23H32ClN3O5
Molecular Weight465.98 g/mol
Exact Mass465.20
IUPAC Name2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide
SMILESCOCC(O)Cn1c(C)cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c1=O
InChIInChI=1S/C23H32ClN3O5/c1-15-12-27(23(31)26(15)13-18(28)14-32-2)17-9-10-20(24)19(11-17)22(30)25-21(29)16-7-5-3-4-6-8-16/h9-12,16,18,21,28-29H,3-8,13-14H2,1-2H3,(H,25,30)
InChIKeyRHOUHPWZIJJAIN-UHFFFAOYSA-N
XLogP2.63
TPSA105.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide (CID 22041628) is 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide is COCC(O)Cn1c(C)cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c1=O.
What is the InChIKey of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide?
The InChIKey is RHOUHPWZIJJAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O5/c1-15-12-27(23(31)26(15)13-18(28)14-32-2)17-9-10-20(24)19(11-17)22(30)25-21(29)16-7-5-3-4-6-8-16/h9-12,16,18,21,28-29H,3-8,13-14H2,1-2H3,(H,25,30).
What are the key properties of 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide?
2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide has a molecular weight of 465.98 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cycloheptyl(hydroxy)methyl]-5-[3-(2-hydroxy-3-methoxypropyl)-4-methyl-2-oxoimidazol-1-yl]benzamide is sourced from PubChem (CID 22041628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).