(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol

C19H23N5O — CID 133384624

IUPAC(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCc1cccc2ncnc(N3CCCC(C(O)c4nccn4C)C3)c12
InChIInChI=1S/C19H23N5O/c1-13-5-3-7-15-16(13)18(22-12-21-15)24-9-4-6-14(11-24)17(25)19-20-8-10-23(19)2/h3,5,7-8,10,12,14,17,25H,4,6,9,11H2,1-2H3
InChIKeyBHVXLXSRJROVGY-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.62
Rot. Bonds3

About (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol

(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol (PubChem CID 133384624) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
PubChem CID133384624
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCc1cccc2ncnc(N3CCCC(C(O)c4nccn4C)C3)c12
InChIInChI=1S/C19H23N5O/c1-13-5-3-7-15-16(13)18(22-12-21-15)24-9-4-6-14(11-24)17(25)19-20-8-10-23(19)2/h3,5,7-8,10,12,14,17,25H,4,6,9,11H2,1-2H3
InChIKeyBHVXLXSRJROVGY-UHFFFAOYSA-N
XLogP2.62
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol (CID 133384624) is (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol is Cc1cccc2ncnc(N3CCCC(C(O)c4nccn4C)C3)c12.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is BHVXLXSRJROVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-5-3-7-15-16(13)18(22-12-21-15)24-9-4-6-14(11-24)17(25)19-20-8-10-23(19)2/h3,5,7-8,10,12,14,17,25H,4,6,9,11H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol?
(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 337.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 133384624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).