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

C15H18ClN3OS — CID 78151125

IUPAC3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine
SMILESClc1ccc(-c2cnc(C3COCCN3CC3CC3)[nH]2)s1
InChIInChI=1S/C15H18ClN3OS/c16-14-4-3-13(21-14)11-7-17-15(18-11)12-9-20-6-5-19(12)8-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,17,18)
InChIKeyBUBXBXOXJJKTBJ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.57
Rot. Bonds4

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

3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine (PubChem CID 78151125) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine.

Molecular Properties

Compound Name3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine
PubChem CID78151125
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine
SMILESClc1ccc(-c2cnc(C3COCCN3CC3CC3)[nH]2)s1
InChIInChI=1S/C15H18ClN3OS/c16-14-4-3-13(21-14)11-7-17-15(18-11)12-9-20-6-5-19(12)8-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,17,18)
InChIKeyBUBXBXOXJJKTBJ-UHFFFAOYSA-N
XLogP3.57
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine?
The IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine (CID 78151125) is 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine.
What is the SMILES notation for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine?
The canonical SMILES for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine is Clc1ccc(-c2cnc(C3COCCN3CC3CC3)[nH]2)s1.
What is the InChIKey of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine?
The InChIKey is BUBXBXOXJJKTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c16-14-4-3-13(21-14)11-7-17-15(18-11)12-9-20-6-5-19(12)8-10-1-2-10/h3-4,7,10,12H,1-2,5-6,8-9H2,(H,17,18).
What are the key properties of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine?
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine has a molecular weight of 323.85 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine is sourced from PubChem (CID 78151125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).