[3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol

C23H20Cl3N5O2 — CID 10323870

IUPAC[3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol
SMILESCOCCNc1nccc(-c2[nH]c(-c3c(Cl)cc(CO)cc3Cl)nc2-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H20Cl3N5O2/c1-33-8-7-28-23-27-6-5-18(29-23)21-20(14-3-2-4-15(24)11-14)30-22(31-21)19-16(25)9-13(12-32)10-17(19)26/h2-6,9-11,32H,7-8,12H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyNJLLIHQBNKXJBB-UHFFFAOYSA-N
MW504.81 g/mol
LogP5.71
Rot. Bonds8

About [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol

[3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol (PubChem CID 10323870) has the molecular formula C23H20Cl3N5O2 and a molecular weight of 504.81 g/mol. Its IUPAC name is [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol
PubChem CID10323870
Molecular FormulaC23H20Cl3N5O2
Molecular Weight504.81 g/mol
Exact Mass503.07
IUPAC Name[3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol
SMILESCOCCNc1nccc(-c2[nH]c(-c3c(Cl)cc(CO)cc3Cl)nc2-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H20Cl3N5O2/c1-33-8-7-28-23-27-6-5-18(29-23)21-20(14-3-2-4-15(24)11-14)30-22(31-21)19-16(25)9-13(12-32)10-17(19)26/h2-6,9-11,32H,7-8,12H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyNJLLIHQBNKXJBB-UHFFFAOYSA-N
XLogP5.71
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.81
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[2-[2,6-dichloro-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(3-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol
CID 10349691
4-[2-(2,6-dichlorophenyl)-4-(3-ethynylphenyl)-1H-imidazol-5-yl]-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 11284831
4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-[4-[2-(diethylamino)ethoxy]phenyl]pyrimidin-2-amine
CID 11238839
N-[3-[[4-[4-(4-chloro-3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 162674700
N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 59137362
4-(3-chlorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 55025921
4-N-[(4-chlorophenyl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885863
N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide
CID 143864714
4-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-1H-imidazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 11203978
2-[[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20852039
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
CID 143864617

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol?
The IUPAC name of [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol (CID 10323870) is [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol is COCCNc1nccc(-c2[nH]c(-c3c(Cl)cc(CO)cc3Cl)nc2-c2cccc(Cl)c2)n1.
What is the InChIKey of [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol?
The InChIKey is NJLLIHQBNKXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N5O2/c1-33-8-7-28-23-27-6-5-18(29-23)21-20(14-3-2-4-15(24)11-14)30-22(31-21)19-16(25)9-13(12-32)10-17(19)26/h2-6,9-11,32H,7-8,12H2,1H3,(H,30,31)(H,27,28,29).
What are the key properties of [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol?
[3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol has a molecular weight of 504.81 g/mol, XLogP of 5.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[4-(3-chlorophenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 10323870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).