2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole

C16H12ClNS — CID 4644060

IUPAC2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole
SMILESClc1ccc(C2Cc3ccc4ccccc4c3N2)s1
InChIInChI=1S/C16H12ClNS/c17-15-8-7-14(19-15)13-9-11-6-5-10-3-1-2-4-12(10)16(11)18-13/h1-8,13,18H,9H2
InChIKeyGUWGYYZUBXGCMC-UHFFFAOYSA-N
MW285.80 g/mol
LogP5.26
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole

2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole (PubChem CID 4644060) has the molecular formula C16H12ClNS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole
PubChem CID4644060
Molecular FormulaC16H12ClNS
Molecular Weight285.80 g/mol
Exact Mass285.04
IUPAC Name2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole
SMILESClc1ccc(C2Cc3ccc4ccccc4c3N2)s1
InChIInChI=1S/C16H12ClNS/c17-15-8-7-14(19-15)13-9-11-6-5-10-3-1-2-4-12(10)16(11)18-13/h1-8,13,18H,9H2
InChIKeyGUWGYYZUBXGCMC-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.80
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole (CID 4644060) is 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole is Clc1ccc(C2Cc3ccc4ccccc4c3N2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole?
The InChIKey is GUWGYYZUBXGCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS/c17-15-8-7-14(19-15)13-9-11-6-5-10-3-1-2-4-12(10)16(11)18-13/h1-8,13,18H,9H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole?
2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole has a molecular weight of 285.80 g/mol, XLogP of 5.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2,3-dihydro-1H-benzo[g]indole is sourced from PubChem (CID 4644060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).