3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole

C21H17N3 — CID 163911567

IUPAC3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole
SMILESC1=C(C(c2ncc[nH]2)c2c[nH]c3ccccc23)c2ccccc2C1
InChIInChI=1S/C21H17N3/c1-2-6-15-14(5-1)9-10-17(15)20(21-22-11-12-23-21)18-13-24-19-8-4-3-7-16(18)19/h1-8,10-13,20,24H,9H2,(H,22,23)
InChIKeySQZJOZAYUCEIKC-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.66
Rot. Bonds3

About 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole

3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole (PubChem CID 163911567) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole
PubChem CID163911567
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole
SMILESC1=C(C(c2ncc[nH]2)c2c[nH]c3ccccc23)c2ccccc2C1
InChIInChI=1S/C21H17N3/c1-2-6-15-14(5-1)9-10-17(15)20(21-22-11-12-23-21)18-13-24-19-8-4-3-7-16(18)19/h1-8,10-13,20,24H,9H2,(H,22,23)
InChIKeySQZJOZAYUCEIKC-UHFFFAOYSA-N
XLogP4.66
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
CID 157471669
4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde
CID 159608053
5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
CID 163425608
3-[9H-fluoren-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 139526334
3-[1H-indol-3-yl-(5-methyl-2-pyridinyl)methyl]-1H-indole
CID 154926412
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
3-propan-2-yl-1H-indole
CID 12534824
2-[bis(1H-imidazol-2-yl)methyl]pyridine
CID 121008587
1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
CID 155935017
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
2-(1H-indol-3-yl)-3H-indole
CID 163416742
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083

Frequently Asked Questions

What is the IUPAC name of 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole (CID 163911567) is 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole is C1=C(C(c2ncc[nH]2)c2c[nH]c3ccccc23)c2ccccc2C1.
What is the InChIKey of 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole?
The InChIKey is SQZJOZAYUCEIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-2-6-15-14(5-1)9-10-17(15)20(21-22-11-12-23-21)18-13-24-19-8-4-3-7-16(18)19/h1-8,10-13,20,24H,9H2,(H,22,23).
What are the key properties of 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole?
3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole has a molecular weight of 311.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole is sourced from PubChem (CID 163911567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).