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

C23H18N4O — CID 118710880

IUPACN-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESCOc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1
InChIInChI=1S/C23H18N4O/c1-28-22-9-5-3-7-17(22)23-26-20-11-10-15(14-21(20)27-23)25-19-12-13-24-18-8-4-2-6-16(18)19/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyGVGDETXDTJSCMV-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.53
Rot. Bonds4

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

N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (PubChem CID 118710880) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
PubChem CID118710880
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine
SMILESCOc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1
InChIInChI=1S/C23H18N4O/c1-28-22-9-5-3-7-17(22)23-26-20-11-10-15(14-21(20)27-23)25-19-12-13-24-18-8-4-2-6-16(18)19/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKeyGVGDETXDTJSCMV-UHFFFAOYSA-N
XLogP5.53
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine (CID 118710880) is N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is COc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
The InChIKey is GVGDETXDTJSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-28-22-9-5-3-7-17(22)23-26-20-11-10-15(14-21(20)27-23)25-19-12-13-24-18-8-4-2-6-16(18)19/h2-14H,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine?
N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]quinolin-4-amine is sourced from PubChem (CID 118710880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).