2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine

C21H23ClN4 — CID 1097858

IUPAC2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C21H23ClN4/c1-3-24(4-2)13-14-25-19-7-5-6-8-20(19)26-15-18(23-21(25)26)16-9-11-17(22)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeySROXQGHPVIZZGJ-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.95
Rot. Bonds6

About 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine

2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine (PubChem CID 1097858) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
PubChem CID1097858
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C21H23ClN4/c1-3-24(4-2)13-14-25-19-7-5-6-8-20(19)26-15-18(23-21(25)26)16-9-11-17(22)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeySROXQGHPVIZZGJ-UHFFFAOYSA-N
XLogP4.95
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine (CID 1097858) is 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine is CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The InChIKey is SROXQGHPVIZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-3-24(4-2)13-14-25-19-7-5-6-8-20(19)26-15-18(23-21(25)26)16-9-11-17(22)12-10-16/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine has a molecular weight of 366.90 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine is sourced from PubChem (CID 1097858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).