4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine

C28H33N5OS — CID 44526507

IUPAC4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
SMILESc1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)nc2c1
InChIInChI=1S/C28H33N5OS/c1-2-4-25-24(3-1)29-28(30-25)27-10-9-26(35-27)23-7-5-22(6-8-23)21-33-15-13-31(14-16-33)11-12-32-17-19-34-20-18-32/h1-10H,11-21H2,(H,29,30)
InChIKeyXCWIYZUQFJQKOI-UHFFFAOYSA-N
MW487.67 g/mol
LogP4.41
Rot. Bonds7

About 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine

4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine (PubChem CID 44526507) has the molecular formula C28H33N5OS and a molecular weight of 487.67 g/mol. Its IUPAC name is 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
PubChem CID44526507
Molecular FormulaC28H33N5OS
Molecular Weight487.67 g/mol
Exact Mass487.24
IUPAC Name4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
SMILESc1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)nc2c1
InChIInChI=1S/C28H33N5OS/c1-2-4-25-24(3-1)29-28(30-25)27-10-9-26(35-27)23-7-5-22(6-8-23)21-33-15-13-31(14-16-33)11-12-32-17-19-34-20-18-32/h1-10H,11-21H2,(H,29,30)
InChIKeyXCWIYZUQFJQKOI-UHFFFAOYSA-N
XLogP4.41
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
CID 44530526
4-[2-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526500
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
3-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 44526352
4-[2-[4-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526514
2-[5-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]thiophen-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526438
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
N-[2-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methylamino]ethyl]-2-methylpyrazole-3-carboxamide
CID 44525057
2-[3-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526464
2-[3-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44524210
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]methanamine
CID 44525147

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine (CID 44526507) is 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine is c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(CCN6CCOCC6)CC5)cc4)s3)nc2c1.
What is the InChIKey of 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is XCWIYZUQFJQKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5OS/c1-2-4-25-24(3-1)29-28(30-25)27-10-9-26(35-27)23-7-5-22(6-8-23)21-33-15-13-31(14-16-33)11-12-32-17-19-34-20-18-32/h1-10H,11-21H2,(H,29,30).
What are the key properties of 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 487.67 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 44526507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).