3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole

C19H16N2 — CID 70680091

IUPAC3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole
SMILESc1ccc(-c2ccc(Cc3c[nH]c4ccccc34)[nH]2)cc1
InChIInChI=1S/C19H16N2/c1-2-6-14(7-3-1)18-11-10-16(21-18)12-15-13-20-19-9-5-4-8-17(15)19/h1-11,13,20-21H,12H2
InChIKeyRDYMCWHFCWFVJG-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.75
Rot. Bonds3

About 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole

3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole (PubChem CID 70680091) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole
PubChem CID70680091
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole
SMILESc1ccc(-c2ccc(Cc3c[nH]c4ccccc34)[nH]2)cc1
InChIInChI=1S/C19H16N2/c1-2-6-14(7-3-1)18-11-10-16(21-18)12-15-13-20-19-9-5-4-8-17(15)19/h1-11,13,20-21H,12H2
InChIKeyRDYMCWHFCWFVJG-UHFFFAOYSA-N
XLogP4.75
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
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CID 135044640
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
4-hydroxy-2-(1H-indol-3-ylmethyl)-1H-pyrimidin-6-one
CID 67282201
6-chloro-3-(1H-indol-2-ylmethyl)-1H-indole
CID 134502336
3-ethyl-1H-indole;methanamine
CID 142222050
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
CID 87710053
CID 87710053
1H-indol-3-ylmethyl(triphenyl)phosphanium
CID 140905729
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 11550369

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole?
The IUPAC name of 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole (CID 70680091) is 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole is c1ccc(-c2ccc(Cc3c[nH]c4ccccc34)[nH]2)cc1.
What is the InChIKey of 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole?
The InChIKey is RDYMCWHFCWFVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-2-6-14(7-3-1)18-11-10-16(21-18)12-15-13-20-19-9-5-4-8-17(15)19/h1-11,13,20-21H,12H2.
What are the key properties of 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole?
3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole has a molecular weight of 272.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1H-pyrrol-2-yl)methyl]-1H-indole is sourced from PubChem (CID 70680091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).