(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone

C16H18ClN3O2 — CID 126840002

IUPAC(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCn1c(C(=O)N2CCOC(C)(c3ccccc3)C2)cnc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-16(12-6-4-3-5-7-12)11-20(8-9-22-16)14(21)13-10-18-15(17)19(13)2/h3-7,10H,8-9,11H2,1-2H3
InChIKeyVTNPVAANZFKFLG-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.46
Rot. Bonds2

About (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone

(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone (PubChem CID 126840002) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
PubChem CID126840002
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
SMILESCn1c(C(=O)N2CCOC(C)(c3ccccc3)C2)cnc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-16(12-6-4-3-5-7-12)11-20(8-9-22-16)14(21)13-10-18-15(17)19(13)2/h3-7,10H,8-9,11H2,1-2H3
InChIKeyVTNPVAANZFKFLG-UHFFFAOYSA-N
XLogP2.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone (CID 126840002) is (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone is Cn1c(C(=O)N2CCOC(C)(c3ccccc3)C2)cnc1Cl.
What is the InChIKey of (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
The InChIKey is VTNPVAANZFKFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-16(12-6-4-3-5-7-12)11-20(8-9-22-16)14(21)13-10-18-15(17)19(13)2/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone?
(2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone has a molecular weight of 319.79 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylimidazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 126840002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).