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

C20H19ClN4OS — CID 163049612

IUPAC3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
SMILESClc1ccc(-c2cnc(C3COCCN3Cc3c[nH]c4ccccc34)[nH]2)s1
InChIInChI=1S/C20H19ClN4OS/c21-19-6-5-18(27-19)16-10-23-20(24-16)17-12-26-8-7-25(17)11-13-9-22-15-4-2-1-3-14(13)15/h1-6,9-10,17,22H,7-8,11-12H2,(H,23,24)
InChIKeyAHLODRJDXZKKHD-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.85
Rot. Bonds4

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

3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine (PubChem CID 163049612) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
PubChem CID163049612
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC Name3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
SMILESClc1ccc(-c2cnc(C3COCCN3Cc3c[nH]c4ccccc34)[nH]2)s1
InChIInChI=1S/C20H19ClN4OS/c21-19-6-5-18(27-19)16-10-23-20(24-16)17-12-26-8-7-25(17)11-13-9-22-15-4-2-1-3-14(13)15/h1-6,9-10,17,22H,7-8,11-12H2,(H,23,24)
InChIKeyAHLODRJDXZKKHD-UHFFFAOYSA-N
XLogP4.85
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
CID 71694104
4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 78151185
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(cyclopropylmethyl)morpholine
CID 78151125
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
CID 162822083
(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine
CID 75367151
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-(naphthalen-1-ylmethyl)morpholine
CID 124963811
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252
2-[[3-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151161
4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151146

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
The IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine (CID 163049612) is 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine.
What is the SMILES notation for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
The canonical SMILES for 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine is Clc1ccc(-c2cnc(C3COCCN3Cc3c[nH]c4ccccc34)[nH]2)s1.
What is the InChIKey of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
The InChIKey is AHLODRJDXZKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c21-19-6-5-18(27-19)16-10-23-20(24-16)17-12-26-8-7-25(17)11-13-9-22-15-4-2-1-3-14(13)15/h1-6,9-10,17,22H,7-8,11-12H2,(H,23,24).
What are the key properties of 3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine?
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine has a molecular weight of 398.92 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 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-(1H-indol-3-ylmethyl)morpholine is sourced from PubChem (CID 163049612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).