1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine

C13H17N3S — CID 54925180

IUPAC1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCC3CC3)[nH]2)s1
InChIInChI=1S/C13H17N3S/c1-9-2-5-12(17-9)11-7-15-13(16-11)8-14-6-10-3-4-10/h2,5,7,10,14H,3-4,6,8H2,1H3,(H,15,16)
InChIKeyAZSXPRZADBZATG-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.95
Rot. Bonds5

About 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine

1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine (PubChem CID 54925180) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine
PubChem CID54925180
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCC3CC3)[nH]2)s1
InChIInChI=1S/C13H17N3S/c1-9-2-5-12(17-9)11-7-15-13(16-11)8-14-6-10-3-4-10/h2,5,7,10,14H,3-4,6,8H2,1H3,(H,15,16)
InChIKeyAZSXPRZADBZATG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine (CID 54925180) is 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine is Cc1ccc(-c2cnc(CNCC3CC3)[nH]2)s1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine?
The InChIKey is AZSXPRZADBZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-2-5-12(17-9)11-7-15-13(16-11)8-14-6-10-3-4-10/h2,5,7,10,14H,3-4,6,8H2,1H3,(H,15,16).
What are the key properties of 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 54925180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).