3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

C16H17N3S — CID 62336006

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCc1cc2nc(-c3c(N)sc4c3CCC4)[nH]c2cc1C
InChIInChI=1S/C16H17N3S/c1-8-6-11-12(7-9(8)2)19-16(18-11)14-10-4-3-5-13(10)20-15(14)17/h6-7H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyPKFRTSXFWRXCEO-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.98
Rot. Bonds1

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 62336006) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID62336006
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCc1cc2nc(-c3c(N)sc4c3CCC4)[nH]c2cc1C
InChIInChI=1S/C16H17N3S/c1-8-6-11-12(7-9(8)2)19-16(18-11)14-10-4-3-5-13(10)20-15(14)17/h6-7H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyPKFRTSXFWRXCEO-UHFFFAOYSA-N
XLogP3.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 62336006) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is Cc1cc2nc(-c3c(N)sc4c3CCC4)[nH]c2cc1C.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is PKFRTSXFWRXCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-8-6-11-12(7-9(8)2)19-16(18-11)14-10-4-3-5-13(10)20-15(14)17/h6-7H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 62336006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).