2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride

C30H26ClN3O2 — CID 70053279

IUPAC2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride
SMILESCl.NCCc1cn(Cc2ccccc2C(N)=O)c2ccc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C30H25N3O2.ClH/c31-15-14-21-18-33(17-20-6-1-2-7-23(20)30(32)34)27-13-12-19(16-26(21)27)22-9-5-10-25-24-8-3-4-11-28(24)35-29(22)25;/h1-13,16,18H,14-15,17,31H2,(H2,32,34);1H
InChIKeyMNBQKPFHOWXZJQ-UHFFFAOYSA-N
MW496.01 g/mol
LogP6.28
Rot. Bonds6

About 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride

2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride (PubChem CID 70053279) has the molecular formula C30H26ClN3O2 and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride
PubChem CID70053279
Molecular FormulaC30H26ClN3O2
Molecular Weight496.01 g/mol
Exact Mass495.17
IUPAC Name2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride
SMILESCl.NCCc1cn(Cc2ccccc2C(N)=O)c2ccc(-c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C30H25N3O2.ClH/c31-15-14-21-18-33(17-20-6-1-2-7-23(20)30(32)34)27-13-12-19(16-26(21)27)22-9-5-10-25-24-8-3-4-11-28(24)35-29(22)25;/h1-13,16,18H,14-15,17,31H2,(H2,32,34);1H
InChIKeyMNBQKPFHOWXZJQ-UHFFFAOYSA-N
XLogP6.28
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide
CID 70052793
2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzonitrile;hydrochloride
CID 70053840
2-[1-(benzenesulfonyl)-5-dibenzofuran-4-ylindol-3-yl]ethanamine
CID 70054414
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
N-(3-dibenzofuran-4-ylphenoxy)acetamide
CID 90962511
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
CID 170131255
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride (CID 70053279) is 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride is Cl.NCCc1cn(Cc2ccccc2C(N)=O)c2ccc(-c3cccc4c3oc3ccccc34)cc12.
What is the InChIKey of 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride?
The InChIKey is MNBQKPFHOWXZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2.ClH/c31-15-14-21-18-33(17-20-6-1-2-7-23(20)30(32)34)27-13-12-19(16-26(21)27)22-9-5-10-25-24-8-3-4-11-28(24)35-29(22)25;/h1-13,16,18H,14-15,17,31H2,(H2,32,34);1H.
What are the key properties of 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride?
2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride has a molecular weight of 496.01 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 70053279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).