3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole

C16H15N3S — CID 22083574

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole
SMILESCc1[nH]c2ccc(-c3ccsc3)cc2c1C1=NCCN1
InChIInChI=1S/C16H15N3S/c1-10-15(16-17-5-6-18-16)13-8-11(2-3-14(13)19-10)12-4-7-20-9-12/h2-4,7-9,19H,5-6H2,1H3,(H,17,18)
InChIKeyHZTVIEAOKFDXJG-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.55
Rot. Bonds2

About 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole

3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole (PubChem CID 22083574) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole
PubChem CID22083574
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole
SMILESCc1[nH]c2ccc(-c3ccsc3)cc2c1C1=NCCN1
InChIInChI=1S/C16H15N3S/c1-10-15(16-17-5-6-18-16)13-8-11(2-3-14(13)19-10)12-4-7-20-9-12/h2-4,7-9,19H,5-6H2,1H3,(H,17,18)
InChIKeyHZTVIEAOKFDXJG-UHFFFAOYSA-N
XLogP3.55
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole (CID 22083574) is 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole is Cc1[nH]c2ccc(-c3ccsc3)cc2c1C1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole?
The InChIKey is HZTVIEAOKFDXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-10-15(16-17-5-6-18-16)13-8-11(2-3-14(13)19-10)12-4-7-20-9-12/h2-4,7-9,19H,5-6H2,1H3,(H,17,18).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole?
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole has a molecular weight of 281.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-thiophen-3-yl-1H-indole is sourced from PubChem (CID 22083574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).