3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine

C23H28N6 — CID 141079623

IUPAC3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine
SMILESCCN1CCN(c2ccc3nc(C4=C(N)c5ccccc5N(C)C4)[nH]c3c2)CC1
InChIInChI=1S/C23H28N6/c1-3-28-10-12-29(13-11-28)16-8-9-19-20(14-16)26-23(25-19)18-15-27(2)21-7-5-4-6-17(21)22(18)24/h4-9,14H,3,10-13,15,24H2,1-2H3,(H,25,26)
InChIKeyPMIWNIUGVQDVKV-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.98
Rot. Bonds3

About 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine

3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine (PubChem CID 141079623) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine.

Molecular Properties

Compound Name3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine
PubChem CID141079623
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine
SMILESCCN1CCN(c2ccc3nc(C4=C(N)c5ccccc5N(C)C4)[nH]c3c2)CC1
InChIInChI=1S/C23H28N6/c1-3-28-10-12-29(13-11-28)16-8-9-19-20(14-16)26-23(25-19)18-15-27(2)21-7-5-4-6-17(21)22(18)24/h4-9,14H,3,10-13,15,24H2,1-2H3,(H,25,26)
InChIKeyPMIWNIUGVQDVKV-UHFFFAOYSA-N
XLogP2.98
TPSA64.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole
CID 143070937
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820353
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
CID 59785439
4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504253
2-[4-[2-(aminomethyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol
CID 83972438
6-(4-butylpiperazin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 163409283
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
CID 59784658
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
1-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2-one
CID 57336746
azane;2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 69083444

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine?
The IUPAC name of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine (CID 141079623) is 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine.
What is the SMILES notation for 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine?
The canonical SMILES for 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine is CCN1CCN(c2ccc3nc(C4=C(N)c5ccccc5N(C)C4)[nH]c3c2)CC1.
What is the InChIKey of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine?
The InChIKey is PMIWNIUGVQDVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-3-28-10-12-29(13-11-28)16-8-9-19-20(14-16)26-23(25-19)18-15-27(2)21-7-5-4-6-17(21)22(18)24/h4-9,14H,3,10-13,15,24H2,1-2H3,(H,25,26).
What are the key properties of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine?
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine has a molecular weight of 388.52 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine is sourced from PubChem (CID 141079623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).