N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine

C26H27N5 — CID 137153838

IUPACN-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(CC)cc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C
InChIInChI=1S/C26H27N5/c1-4-17-12-19(15-27-5-2)16(3)20(13-17)18-10-11-22-21(14-18)25(31-30-22)26-28-23-8-6-7-9-24(23)29-26/h6-14,27H,4-5,15H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyQIKBJVSTZLQISH-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.75
Rot. Bonds6

About N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine

N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine (PubChem CID 137153838) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine
PubChem CID137153838
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC NameN-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(CC)cc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C
InChIInChI=1S/C26H27N5/c1-4-17-12-19(15-27-5-2)16(3)20(13-17)18-10-11-22-21(14-18)25(31-30-22)26-28-23-8-6-7-9-24(23)29-26/h6-14,27H,4-5,15H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyQIKBJVSTZLQISH-UHFFFAOYSA-N
XLogP5.75
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine
CID 135433078
3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole
CID 135486180
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
CID 135453498
N-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136509566
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 135992142
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(4-hydroxybutyl)-4-phenyl-1H-imidazole-5-carboxamide
CID 135992201
N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
CID 44524235
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137019408

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine (CID 137153838) is N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine is CCNCc1cc(CC)cc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.
What is the InChIKey of N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine?
The InChIKey is QIKBJVSTZLQISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-4-17-12-19(15-27-5-2)16(3)20(13-17)18-10-11-22-21(14-18)25(31-30-22)26-28-23-8-6-7-9-24(23)29-26/h6-14,27H,4-5,15H2,1-3H3,(H,28,29)(H,30,31).
What are the key properties of N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine?
N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine has a molecular weight of 409.54 g/mol, XLogP of 5.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 137153838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).