N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine

C24H21F2N5 — CID 175289704

IUPACN-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]cc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C
InChIInChI=1S/C24H21F2N5/c1-3-27-9-15-10-28-11-18(13(15)2)14-4-5-21-17(6-14)19(12-29-21)24-30-22-8-16(25)7-20(26)23(22)31-24/h4-8,10-12,27,29H,3,9H2,1-2H3,(H,30,31)
InChIKeyFZUOPDUYDMIGGC-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.47
Rot. Bonds5

About N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine

N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 175289704) has the molecular formula C24H21F2N5 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID175289704
Molecular FormulaC24H21F2N5
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC NameN-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]cc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C
InChIInChI=1S/C24H21F2N5/c1-3-27-9-15-10-28-11-18(13(15)2)14-4-5-21-17(6-14)19(12-29-21)24-30-22-8-16(25)7-20(26)23(22)31-24/h4-8,10-12,27,29H,3,9H2,1-2H3,(H,30,31)
InChIKeyFZUOPDUYDMIGGC-UHFFFAOYSA-N
XLogP5.47
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine (CID 175289704) is N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]cc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C.
What is the InChIKey of N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is FZUOPDUYDMIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5/c1-3-27-9-15-10-28-11-18(13(15)2)14-4-5-21-17(6-14)19(12-29-21)24-30-22-8-16(25)7-20(26)23(22)31-24/h4-8,10-12,27,29H,3,9H2,1-2H3,(H,30,31).
What are the key properties of N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 417.46 g/mol, XLogP of 5.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 175289704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).