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

C16H22ClN3OS — CID 75367151

IUPAC(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine
SMILESCC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C16H22ClN3OS/c1-16(2,3)10-20-6-7-21-9-12(20)15-18-8-11(19-15)13-4-5-14(17)22-13/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyUYMACDVRAUNZGZ-LBPRGKRZSA-N
MW339.89 g/mol
LogP4.21
Rot. Bonds3

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

(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine (PubChem CID 75367151) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine
PubChem CID75367151
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine
SMILESCC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C16H22ClN3OS/c1-16(2,3)10-20-6-7-21-9-12(20)15-18-8-11(19-15)13-4-5-14(17)22-13/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyUYMACDVRAUNZGZ-LBPRGKRZSA-N
XLogP4.21
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
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]-4-(2,2-dimethylpropyl)morpholine?
The IUPAC name of (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine (CID 75367151) is (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine.
What is the SMILES notation for (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine?
The canonical SMILES for (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine is CC(C)(C)CN1CCOC[C@H]1c1ncc(-c2ccc(Cl)s2)[nH]1.
What is the InChIKey of (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine?
The InChIKey is UYMACDVRAUNZGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClN3OS/c1-16(2,3)10-20-6-7-21-9-12(20)15-18-8-11(19-15)13-4-5-14(17)22-13/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine?
(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine has a molecular weight of 339.89 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 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]-4-(2,2-dimethylpropyl)morpholine is sourced from PubChem (CID 75367151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).