amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol

C22H20N4O — CID 129228795

IUPACamino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol
SMILESCc1cccc(-c2nc(-c3ccc(C(N)O)cc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C22H20N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13,21,27H,23H2,1H3,(H,25,26)
InChIKeyZXTRQERGGUFDQE-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.06
Rot. Bonds4

About amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol

amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol (PubChem CID 129228795) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Nameamino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol
PubChem CID129228795
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Nameamino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol
SMILESCc1cccc(-c2nc(-c3ccc(C(N)O)cc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C22H20N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13,21,27H,23H2,1H3,(H,25,26)
InChIKeyZXTRQERGGUFDQE-UHFFFAOYSA-N
XLogP4.06
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol?
The IUPAC name of amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol (CID 129228795) is amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol?
The canonical SMILES for amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol is Cc1cccc(-c2nc(-c3ccc(C(N)O)cc3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol?
The InChIKey is ZXTRQERGGUFDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-3-2-4-18(13-14)20-19(15-9-11-24-12-10-15)25-22(26-20)17-7-5-16(6-8-17)21(23)27/h2-13,21,27H,23H2,1H3,(H,25,26).
What are the key properties of amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol?
amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol has a molecular weight of 356.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 129228795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).