(tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol

C20H23ClN4O — CID 134490668

IUPAC(tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol
SMILESCc1nccn1-c1cc(C(O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H23ClN4O/c1-13-22-9-10-25(13)18-12-15(19(26)24-20(2,3)4)11-17(23-18)14-5-7-16(21)8-6-14/h5-12,19,24,26H,1-4H3
InChIKeyNHNJVGYHWLDKHC-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.28
Rot. Bonds4

About (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol

(tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol (PubChem CID 134490668) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name(tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol
PubChem CID134490668
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name(tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol
SMILESCc1nccn1-c1cc(C(O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H23ClN4O/c1-13-22-9-10-25(13)18-12-15(19(26)24-20(2,3)4)11-17(23-18)14-5-7-16(21)8-6-14/h5-12,19,24,26H,1-4H3
InChIKeyNHNJVGYHWLDKHC-UHFFFAOYSA-N
XLogP4.28
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol?
The IUPAC name of (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol (CID 134490668) is (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol is Cc1nccn1-c1cc(C(O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol?
The InChIKey is NHNJVGYHWLDKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-13-22-9-10-25(13)18-12-15(19(26)24-20(2,3)4)11-17(23-18)14-5-7-16(21)8-6-14/h5-12,19,24,26H,1-4H3.
What are the key properties of (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol?
(tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol has a molecular weight of 370.88 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)-[2-(4-chlorophenyl)-6-(2-methylimidazol-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 134490668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).