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

C23H18N4 — CID 118710879

IUPACN-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESCc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1
InChIInChI=1S/C23H18N4/c1-15-6-8-16(9-7-15)23-26-21-11-10-17(14-22(21)27-23)25-20-12-13-24-19-5-3-2-4-18(19)20/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyXUUZMAGQEOEZGX-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.83
Rot. Bonds3

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

N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (PubChem CID 118710879) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
PubChem CID118710879
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC NameN-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESCc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1
InChIInChI=1S/C23H18N4/c1-15-6-8-16(9-7-15)23-26-21-11-10-17(14-22(21)27-23)25-20-12-13-24-19-5-3-2-4-18(19)20/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyXUUZMAGQEOEZGX-UHFFFAOYSA-N
XLogP5.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The IUPAC name of N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (CID 118710879) is N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The canonical SMILES for N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is Cc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The InChIKey is XUUZMAGQEOEZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-15-6-8-16(9-7-15)23-26-21-11-10-17(14-22(21)27-23)25-20-12-13-24-19-5-3-2-4-18(19)20/h2-14H,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine has a molecular weight of 350.43 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is sourced from PubChem (CID 118710879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).