1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide

C25H22ClN5O2 — CID 122312038

IUPAC1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C25H22ClN5O2/c26-19-5-3-18(4-6-19)25(11-1-2-12-25)24(32)30-20-7-9-21(10-8-20)33-23-15-22(28-16-29-23)31-14-13-27-17-31/h3-10,13-17H,1-2,11-12H2,(H,30,32)
InChIKeyPWXJFQCIRXQFPE-UHFFFAOYSA-N
MW459.94 g/mol
LogP5.56
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide (PubChem CID 122312038) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide
PubChem CID122312038
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C25H22ClN5O2/c26-19-5-3-18(4-6-19)25(11-1-2-12-25)24(32)30-20-7-9-21(10-8-20)33-23-15-22(28-16-29-23)31-14-13-27-17-31/h3-10,13-17H,1-2,11-12H2,(H,30,32)
InChIKeyPWXJFQCIRXQFPE-UHFFFAOYSA-N
XLogP5.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.94
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropane-1-carboxamide
CID 122312105
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
1-(3-chlorophenyl)-N-(6-imidazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 39406638
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122312000
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122312071
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide (CID 122312038) is 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide is O=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide?
The InChIKey is PWXJFQCIRXQFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-19-5-3-18(4-6-19)25(11-1-2-12-25)24(32)30-20-7-9-21(10-8-20)33-23-15-22(28-16-29-23)31-14-13-27-17-31/h3-10,13-17H,1-2,11-12H2,(H,30,32).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide has a molecular weight of 459.94 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 122312038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).