3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile

C19H17ClN4OS — CID 75367155

IUPAC3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccc(Cl)s3)[nH]2)c1
InChIInChI=1S/C19H17ClN4OS/c20-18-5-4-17(26-18)15-10-22-19(23-15)16-12-25-7-6-24(16)11-14-3-1-2-13(8-14)9-21/h1-5,8,10,16H,6-7,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyZTUNSYYNDPQYCE-INIZCTEOSA-N
MW384.89 g/mol
LogP4.24
Rot. Bonds4

About 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile

3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile (PubChem CID 75367155) has the molecular formula C19H17ClN4OS and a molecular weight of 384.89 g/mol. Its IUPAC name is 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile
PubChem CID75367155
Molecular FormulaC19H17ClN4OS
Molecular Weight384.89 g/mol
Exact Mass384.08
IUPAC Name3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccc(Cl)s3)[nH]2)c1
InChIInChI=1S/C19H17ClN4OS/c20-18-5-4-17(26-18)15-10-22-19(23-15)16-12-25-7-6-24(16)11-14-3-1-2-13(8-14)9-21/h1-5,8,10,16H,6-7,11-12H2,(H,22,23)/t16-/m0/s1
InChIKeyZTUNSYYNDPQYCE-INIZCTEOSA-N
XLogP4.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile (CID 75367155) is 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile is N#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccc(Cl)s3)[nH]2)c1.
What is the InChIKey of 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
The InChIKey is ZTUNSYYNDPQYCE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClN4OS/c20-18-5-4-17(26-18)15-10-22-19(23-15)16-12-25-7-6-24(16)11-14-3-1-2-13(8-14)9-21/h1-5,8,10,16H,6-7,11-12H2,(H,22,23)/t16-/m0/s1.
What are the key properties of 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile has a molecular weight of 384.89 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 75367155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).