N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine

C13H17N3S — CID 61333153

IUPACN-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1[nH]c(CCNC2CC2)nc1-c1cccs1
InChIInChI=1S/C13H17N3S/c1-9-13(11-3-2-8-17-11)16-12(15-9)6-7-14-10-4-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16)
InChIKeyQEICGDPSTXBHHC-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine

N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine (PubChem CID 61333153) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine
PubChem CID61333153
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine
SMILESCc1[nH]c(CCNC2CC2)nc1-c1cccs1
InChIInChI=1S/C13H17N3S/c1-9-13(11-3-2-8-17-11)16-12(15-9)6-7-14-10-4-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16)
InChIKeyQEICGDPSTXBHHC-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine (CID 61333153) is N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine is Cc1[nH]c(CCNC2CC2)nc1-c1cccs1.
What is the InChIKey of N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is QEICGDPSTXBHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-13(11-3-2-8-17-11)16-12(15-9)6-7-14-10-4-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16).
What are the key properties of N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine?
N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 247.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 61333153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).