N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine

C24H20N4 — CID 118710882

IUPACN-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESCCc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1
InChIInChI=1S/C24H20N4/c1-2-16-7-9-17(10-8-16)24-27-22-12-11-18(15-23(22)28-24)26-21-13-14-25-20-6-4-3-5-19(20)21/h3-15H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyLOXOBWXVWGOJMW-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.08
Rot. Bonds4

About N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine

N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (PubChem CID 118710882) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
PubChem CID118710882
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC NameN-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESCCc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1
InChIInChI=1S/C24H20N4/c1-2-16-7-9-17(10-8-16)24-27-22-12-11-18(15-23(22)28-24)26-21-13-14-25-20-6-4-3-5-19(20)21/h3-15H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyLOXOBWXVWGOJMW-UHFFFAOYSA-N
XLogP6.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
Mavorixafor
CID 11256587
2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
Apto-253
CID 11960271
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Sch-79797
CID 4259181
SB-525334
CID 9967941
6H-Indolo(2,3-b)quinoxaline
CID 5356192

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The IUPAC name of N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (CID 118710882) is N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.
What is the SMILES notation for N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The canonical SMILES for N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is CCc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The InChIKey is LOXOBWXVWGOJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-2-16-7-9-17(10-8-16)24-27-22-12-11-18(15-23(22)28-24)26-21-13-14-25-20-6-4-3-5-19(20)21/h3-15H,2H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is sourced from PubChem (CID 118710882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).