4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine

C19H19BrN4OS — CID 19040854

IUPAC4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
SMILESBrc1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)s1
InChIInChI=1S/C19H19BrN4OS/c20-18-6-5-17(26-18)14-13-24-16-4-2-1-3-15(16)23(19(24)21-14)8-7-22-9-11-25-12-10-22/h1-6,13H,7-12H2
InChIKeySQSBXMJKTJKJTB-UHFFFAOYSA-N
MW431.36 g/mol
LogP4.11
Rot. Bonds4

About 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine

4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine (PubChem CID 19040854) has the molecular formula C19H19BrN4OS and a molecular weight of 431.36 g/mol. Its IUPAC name is 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
PubChem CID19040854
Molecular FormulaC19H19BrN4OS
Molecular Weight431.36 g/mol
Exact Mass430.05
IUPAC Name4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
SMILESBrc1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)s1
InChIInChI=1S/C19H19BrN4OS/c20-18-6-5-17(26-18)14-13-24-16-4-2-1-3-15(16)23(19(24)21-14)8-7-22-9-11-25-12-10-22/h1-6,13H,7-12H2
InChIKeySQSBXMJKTJKJTB-UHFFFAOYSA-N
XLogP4.11
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
CID 2858997
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 1291433
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 56683980
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide
CID 163342582
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
CID 7358652
2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde
CID 134824326

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine (CID 19040854) is 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine is Brc1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)s1.
What is the InChIKey of 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine?
The InChIKey is SQSBXMJKTJKJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4OS/c20-18-6-5-17(26-18)14-13-24-16-4-2-1-3-15(16)23(19(24)21-14)8-7-22-9-11-25-12-10-22/h1-6,13H,7-12H2.
What are the key properties of 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine?
4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine has a molecular weight of 431.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine is sourced from PubChem (CID 19040854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).