3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine

C17H21N3S2 — CID 16676786

IUPAC3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cccs2)s1
InChIInChI=1S/C17H21N3S2/c1-15-5-6-17(22-15)13-20(12-16-4-2-11-21-16)9-3-8-19-10-7-18-14-19/h2,4-7,10-11,14H,3,8-9,12-13H2,1H3
InChIKeyCBOMDFQDBZMYBL-UHFFFAOYSA-N
MW331.51 g/mol
LogP4.41
Rot. Bonds8

About 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 16676786) has the molecular formula C17H21N3S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID16676786
Molecular FormulaC17H21N3S2
Molecular Weight331.51 g/mol
Exact Mass331.12
IUPAC Name3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cccs2)s1
InChIInChI=1S/C17H21N3S2/c1-15-5-6-17(22-15)13-20(12-16-4-2-11-21-16)9-3-8-19-10-7-18-14-19/h2,4-7,10-11,14H,3,8-9,12-13H2,1H3
InChIKeyCBOMDFQDBZMYBL-UHFFFAOYSA-N
XLogP4.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine (CID 16676786) is 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cccs2)s1.
What is the InChIKey of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is CBOMDFQDBZMYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S2/c1-15-5-6-17(22-15)13-20(12-16-4-2-11-21-16)9-3-8-19-10-7-18-14-19/h2,4-7,10-11,14H,3,8-9,12-13H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 331.51 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 16676786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).