N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride

C23H29Cl3N6 — CID 24838920

IUPACN,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3nc4ccccc4n3C)nc12.Cl.Cl.Cl
InChIInChI=1S/C23H26N6.3ClH/c1-4-27(5-2)14-15-28-20-12-8-9-13-21(20)29-16-18(25-23(28)29)22-24-17-10-6-7-11-19(17)26(22)3;;;/h6-13,16H,4-5,14-15H2,1-3H3;3*1H
InChIKeyQXIWJUMTCODQGP-UHFFFAOYSA-N
MW495.89 g/mol
LogP5.45
Rot. Bonds6

About N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride

N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride (PubChem CID 24838920) has the molecular formula C23H29Cl3N6 and a molecular weight of 495.89 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride
PubChem CID24838920
Molecular FormulaC23H29Cl3N6
Molecular Weight495.89 g/mol
Exact Mass494.15
IUPAC NameN,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3nc4ccccc4n3C)nc12.Cl.Cl.Cl
InChIInChI=1S/C23H26N6.3ClH/c1-4-27(5-2)14-15-28-20-12-8-9-13-21(20)29-16-18(25-23(28)29)22-24-17-10-6-7-11-19(17)26(22)3;;;/h6-13,16H,4-5,14-15H2,1-3H3;3*1H
InChIKeyQXIWJUMTCODQGP-UHFFFAOYSA-N
XLogP5.45
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.89
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646243
N,N-diethyl-2-imidazo[1,2-a]benzimidazol-4-ylethanamine
CID 1399988
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid
CID 67711828
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
N,N-dimethyl-2-(2-methylimidazo[1,2-a]benzimidazol-4-yl)ethanamine
CID 765712
2-phenyl-4-propylimidazo[1,2-a]benzimidazole
CID 799630
[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane
CID 126729495
1-[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]ethanone;dihydrochloride
CID 52994941

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride?
The IUPAC name of N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride (CID 24838920) is N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride.
What is the SMILES notation for N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride?
The canonical SMILES for N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride is CCN(CC)CCn1c2ccccc2n2cc(-c3nc4ccccc4n3C)nc12.Cl.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride?
The InChIKey is QXIWJUMTCODQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6.3ClH/c1-4-27(5-2)14-15-28-20-12-8-9-13-21(20)29-16-18(25-23(28)29)22-24-17-10-6-7-11-19(17)26(22)3;;;/h6-13,16H,4-5,14-15H2,1-3H3;3*1H.
What are the key properties of N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride?
N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride has a molecular weight of 495.89 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride is sourced from PubChem (CID 24838920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).