3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride

C21H15ClN2O — CID 157298070

IUPAC3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride
SMILESC1=[NH+]c2ccccc2C1=C(c1ccco1)c1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C21H14N2O.ClH/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19;/h1-13,22H;1H
InChIKeyBYWBDGUZZWFAEH-UHFFFAOYSA-N
MW346.82 g/mol
LogP0.52
Rot. Bonds2

About 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride

3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride (PubChem CID 157298070) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride.

Molecular Properties

Compound Name3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride
PubChem CID157298070
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride
SMILESC1=[NH+]c2ccccc2C1=C(c1ccco1)c1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C21H14N2O.ClH/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19;/h1-13,22H;1H
InChIKeyBYWBDGUZZWFAEH-UHFFFAOYSA-N
XLogP0.52
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Go 6983
CID 3499
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
CID 3385437
5-Benzyloxyindole-3-acetic acid
CID 96340
3-(1-benzofuran-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327664
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride?
The IUPAC name of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride (CID 157298070) is 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride.
What is the SMILES notation for 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride?
The canonical SMILES for 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride is C1=[NH+]c2ccccc2C1=C(c1ccco1)c1c[nH]c2ccccc12.[Cl-].
What is the InChIKey of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride?
The InChIKey is BYWBDGUZZWFAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O.ClH/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19;/h1-13,22H;1H.
What are the key properties of 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride?
3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride has a molecular weight of 346.82 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-yl(indol-1-ium-3-ylidene)methyl]-1H-indole chloride is sourced from PubChem (CID 157298070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).