(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine

C11H12ClN3OS — CID 77059035

IUPAC(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3)[nH]2)s1
InChIInChI=1S/C11H12ClN3OS/c12-10-2-1-9(17-10)7-5-14-11(15-7)8-6-16-4-3-13-8/h1-2,5,8,13H,3-4,6H2,(H,14,15)/t8-/m0/s1
InChIKeyBPWAXWDRVQSCAM-QMMMGPOBSA-N
MW269.76 g/mol
LogP2.45
Rot. Bonds2

About (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine

(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine (PubChem CID 77059035) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
PubChem CID77059035
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3)[nH]2)s1
InChIInChI=1S/C11H12ClN3OS/c12-10-2-1-9(17-10)7-5-14-11(15-7)8-6-16-4-3-13-8/h1-2,5,8,13H,3-4,6H2,(H,14,15)/t8-/m0/s1
InChIKeyBPWAXWDRVQSCAM-QMMMGPOBSA-N
XLogP2.45
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine (CID 77059035) is (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine is Clc1ccc(-c2cnc([C@@H]3COCCN3)[nH]2)s1.
What is the InChIKey of (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
The InChIKey is BPWAXWDRVQSCAM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-10-2-1-9(17-10)7-5-14-11(15-7)8-6-16-4-3-13-8/h1-2,5,8,13H,3-4,6H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine has a molecular weight of 269.76 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 77059035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).