1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole

C16H15N3S — CID 59435411

IUPAC1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole
SMILESc1csc(-c2ccc3c(c2)N(Cc2cnc[nH]2)CC3)c1
InChIInChI=1S/C16H15N3S/c1-2-16(20-7-1)13-4-3-12-5-6-19(15(12)8-13)10-14-9-17-11-18-14/h1-4,7-9,11H,5-6,10H2,(H,17,18)
InChIKeyUPILZPLXRWGUDC-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.70
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole

1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole (PubChem CID 59435411) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole
PubChem CID59435411
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole
SMILESc1csc(-c2ccc3c(c2)N(Cc2cnc[nH]2)CC3)c1
InChIInChI=1S/C16H15N3S/c1-2-16(20-7-1)13-4-3-12-5-6-19(15(12)8-13)10-14-9-17-11-18-14/h1-4,7-9,11H,5-6,10H2,(H,17,18)
InChIKeyUPILZPLXRWGUDC-UHFFFAOYSA-N
XLogP3.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole (CID 59435411) is 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole is c1csc(-c2ccc3c(c2)N(Cc2cnc[nH]2)CC3)c1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole?
The InChIKey is UPILZPLXRWGUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-16(20-7-1)13-4-3-12-5-6-19(15(12)8-13)10-14-9-17-11-18-14/h1-4,7-9,11H,5-6,10H2,(H,17,18).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole?
1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole has a molecular weight of 281.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole is sourced from PubChem (CID 59435411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).