(3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine

C18H18ClN3OS — CID 75367150

IUPAC(3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccc3)[nH]2)s1
InChIInChI=1S/C18H18ClN3OS/c19-17-7-6-16(24-17)14-10-20-18(21-14)15-12-23-9-8-22(15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,20,21)/t15-/m0/s1
InChIKeyNHKRQJHWNNWPKD-HNNXBMFYSA-N
MW359.88 g/mol
LogP4.37
Rot. Bonds4

About (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine

(3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine (PubChem CID 75367150) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
PubChem CID75367150
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name(3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccc3)[nH]2)s1
InChIInChI=1S/C18H18ClN3OS/c19-17-7-6-16(24-17)14-10-20-18(21-14)15-12-23-9-8-22(15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,20,21)/t15-/m0/s1
InChIKeyNHKRQJHWNNWPKD-HNNXBMFYSA-N
XLogP4.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine (CID 75367150) is (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine is Clc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccc3)[nH]2)s1.
What is the InChIKey of (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
The InChIKey is NHKRQJHWNNWPKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-17-7-6-16(24-17)14-10-20-18(21-14)15-12-23-9-8-22(15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H,20,21)/t15-/m0/s1.
What are the key properties of (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine?
(3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine has a molecular weight of 359.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 75367150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).