(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride

C23H25Cl3N4O2 — CID 19040811

IUPAC(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
SMILESCc1nc2n(CCN3CCOCC3)c3ccccc3n2c1C(=O)c1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C23H23ClN4O2.2ClH/c1-16-21(22(29)17-6-8-18(24)9-7-17)28-20-5-3-2-4-19(20)27(23(28)25-16)11-10-26-12-14-30-15-13-26;;/h2-9H,10-15H2,1H3;2*1H
InChIKeyWAQVESXBACTNJQ-UHFFFAOYSA-N
MW495.84 g/mol
LogP4.66
Rot. Bonds5

About (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride

(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride (PubChem CID 19040811) has the molecular formula C23H25Cl3N4O2 and a molecular weight of 495.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
PubChem CID19040811
Molecular FormulaC23H25Cl3N4O2
Molecular Weight495.84 g/mol
Exact Mass494.10
IUPAC Name(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
SMILESCc1nc2n(CCN3CCOCC3)c3ccccc3n2c1C(=O)c1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C23H23ClN4O2.2ClH/c1-16-21(22(29)17-6-8-18(24)9-7-17)28-20-5-3-2-4-19(20)27(23(28)25-16)11-10-26-12-14-30-15-13-26;;/h2-9H,10-15H2,1H3;2*1H
InChIKeyWAQVESXBACTNJQ-UHFFFAOYSA-N
XLogP4.66
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.84
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 3703601
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
(4-chlorophenyl)-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanone;hydrochloride
CID 138397986
2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39734554
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
CID 56837830
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
(4-chlorophenyl)-[2-[(R)-2-morpholin-4-ylethylsulfinyl]benzimidazol-1-yl]methanone
CID 92966060
2-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazole-1-carbaldehyde
CID 134824326
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride?
The IUPAC name of (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride (CID 19040811) is (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride?
The canonical SMILES for (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride is Cc1nc2n(CCN3CCOCC3)c3ccccc3n2c1C(=O)c1ccc(Cl)cc1.Cl.Cl.
What is the InChIKey of (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride?
The InChIKey is WAQVESXBACTNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2.2ClH/c1-16-21(22(29)17-6-8-18(24)9-7-17)28-20-5-3-2-4-19(20)27(23(28)25-16)11-10-26-12-14-30-15-13-26;;/h2-9H,10-15H2,1H3;2*1H.
What are the key properties of (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride?
(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride has a molecular weight of 495.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 19040811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).