1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone

C24H26N4O2 — CID 3703601

IUPAC1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C)cc2)nc2n(CCN3CCOCC3)c3ccccc3n12
InChIInChI=1S/C24H26N4O2/c1-17-7-9-19(10-8-17)22-23(18(2)29)28-21-6-4-3-5-20(21)27(24(28)25-22)12-11-26-13-15-30-16-14-26/h3-10H,11-16H2,1-2H3
InChIKeyYSODIAXYVRBBKJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone

1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone (PubChem CID 3703601) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
PubChem CID3703601
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C)cc2)nc2n(CCN3CCOCC3)c3ccccc3n12
InChIInChI=1S/C24H26N4O2/c1-17-7-9-19(10-8-17)22-23(18(2)29)28-21-6-4-3-5-20(21)27(24(28)25-22)12-11-26-13-15-30-16-14-26/h3-10H,11-16H2,1-2H3
InChIKeyYSODIAXYVRBBKJ-UHFFFAOYSA-N
XLogP3.80
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
CID 19040811
2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde
CID 134824326
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride
CID 24838936
1-[4-[2-(diethylamino)ethyl]-2-(2,5-dimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 1043076
3-[bis(4-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
CID 67595705
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
CID 4901820
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
CID 1259026
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
CID 56837830
1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
CID 142227752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone (CID 3703601) is 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone is CC(=O)c1c(-c2ccc(C)cc2)nc2n(CCN3CCOCC3)c3ccccc3n12.
What is the InChIKey of 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
The InChIKey is YSODIAXYVRBBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-7-9-19(10-8-17)22-23(18(2)29)28-21-6-4-3-5-20(21)27(24(28)25-22)12-11-26-13-15-30-16-14-26/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone?
1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone is sourced from PubChem (CID 3703601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).