1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide

C22H22ClN3O2 — CID 55882122

IUPAC1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-26-14-13-24-20(26)15-28-19-9-7-18(8-10-19)25-21(27)22(11-2-12-22)16-3-5-17(23)6-4-16/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27)
InChIKeyOOMUQXYFXRTBSJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.71
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide (PubChem CID 55882122) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide
PubChem CID55882122
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-26-14-13-24-20(26)15-28-19-9-7-18(8-10-19)25-21(27)22(11-2-12-22)16-3-5-17(23)6-4-16/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27)
InChIKeyOOMUQXYFXRTBSJ-UHFFFAOYSA-N
XLogP4.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide (CID 55882122) is 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide is Cn1ccnc1COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide?
The InChIKey is OOMUQXYFXRTBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-26-14-13-24-20(26)15-28-19-9-7-18(8-10-19)25-21(27)22(11-2-12-22)16-3-5-17(23)6-4-16/h3-10,13-14H,2,11-12,15H2,1H3,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55882122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).