2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide

C19H13Cl2N5O2S — CID 122312491

IUPAC2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)ncn1
InChIInChI=1S/C19H13Cl2N5O2S/c1-11-22-6-7-26(11)16-9-17(24-10-23-16)28-13-4-2-12(3-5-13)25-19(27)14-8-15(20)29-18(14)21/h2-10H,1H3,(H,25,27)
InChIKeyXILYXJWCJALTJA-UHFFFAOYSA-N
MW446.32 g/mol
LogP5.38
Rot. Bonds5

About 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide

2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide (PubChem CID 122312491) has the molecular formula C19H13Cl2N5O2S and a molecular weight of 446.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
PubChem CID122312491
Molecular FormulaC19H13Cl2N5O2S
Molecular Weight446.32 g/mol
Exact Mass445.02
IUPAC Name2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)ncn1
InChIInChI=1S/C19H13Cl2N5O2S/c1-11-22-6-7-26(11)16-9-17(24-10-23-16)28-13-4-2-12(3-5-13)25-19(27)14-8-15(20)29-18(14)21/h2-10H,1H3,(H,25,27)
InChIKeyXILYXJWCJALTJA-UHFFFAOYSA-N
XLogP5.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.32
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
2-iodo-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312575
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312229
4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312439
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,3-benzothiazole-6-carboxamide
CID 122312391
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyltriazole-4-carboxamide
CID 122312385
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pentoxybenzamide
CID 122312480
2-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122312432
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306552
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
1-(2,3-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312308

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide (CID 122312491) is 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide is Cc1nccn1-c1cc(Oc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)ncn1.
What is the InChIKey of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide?
The InChIKey is XILYXJWCJALTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O2S/c1-11-22-6-7-26(11)16-9-17(24-10-23-16)28-13-4-2-12(3-5-13)25-19(27)14-8-15(20)29-18(14)21/h2-10H,1H3,(H,25,27).
What are the key properties of 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide?
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide has a molecular weight of 446.32 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 122312491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).