2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid

C23H30N4O6S — CID 67711828

IUPAC2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)nc12.O=S(=O)(O)O
InChIInChI=1S/C23H28N4O2.H2O4S/c1-5-25(6-2)13-14-26-19-9-7-8-10-20(19)27-16-18(24-23(26)27)17-11-12-21(28-3)22(15-17)29-4;1-5(2,3)4/h7-12,15-16H,5-6,13-14H2,1-4H3;(H2,1,2,3,4)
InChIKeyKOMPLYCDUHLZNM-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.66
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid

2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid (PubChem CID 67711828) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid
PubChem CID67711828
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC Name2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)nc12.O=S(=O)(O)O
InChIInChI=1S/C23H28N4O2.H2O4S/c1-5-25(6-2)13-14-26-19-9-7-8-10-20(19)27-16-18(24-23(26)27)17-11-12-21(28-3)22(15-17)29-4;1-5(2,3)4/h7-12,15-16H,5-6,13-14H2,1-4H3;(H2,1,2,3,4)
InChIKeyKOMPLYCDUHLZNM-UHFFFAOYSA-N
XLogP3.66
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 878680
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 1097858
2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 3332849
1-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 19040825
(1S)-2,2,2-trichloro-1-[4-[2-(diethylamino)ethyl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-1-yl]ethanol
CID 1203393
2-phenyl-4-propylimidazo[1,2-a]benzimidazole
CID 799630
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989
(1R)-2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 1002768
N,N-diethyl-2-imidazo[1,2-a]benzimidazol-4-ylethanamine
CID 1399988
2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 1291433
4-[2-[3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine;sulfuric acid
CID 3075311
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid (CID 67711828) is 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid is CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)nc12.O=S(=O)(O)O.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid?
The InChIKey is KOMPLYCDUHLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.H2O4S/c1-5-25(6-2)13-14-26-19-9-7-8-10-20(19)27-16-18(24-23(26)27)17-11-12-21(28-3)22(15-17)29-4;1-5(2,3)4/h7-12,15-16H,5-6,13-14H2,1-4H3;(H2,1,2,3,4).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid?
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid has a molecular weight of 490.58 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid is sourced from PubChem (CID 67711828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).