N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine

C12H19N5S — CID 54105723

IUPACN,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine
SMILESCc1cnc(Cn2ccnc2SCCN(C)C)[nH]1
InChIInChI=1S/C12H19N5S/c1-10-8-14-11(15-10)9-17-5-4-13-12(17)18-7-6-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyNDPYPUYDMJZGOO-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.62
Rot. Bonds6

About N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine

N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine (PubChem CID 54105723) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine
PubChem CID54105723
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine
SMILESCc1cnc(Cn2ccnc2SCCN(C)C)[nH]1
InChIInChI=1S/C12H19N5S/c1-10-8-14-11(15-10)9-17-5-4-13-12(17)18-7-6-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyNDPYPUYDMJZGOO-UHFFFAOYSA-N
XLogP1.62
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine (CID 54105723) is N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine is Cc1cnc(Cn2ccnc2SCCN(C)C)[nH]1.
What is the InChIKey of N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine?
The InChIKey is NDPYPUYDMJZGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-10-8-14-11(15-10)9-17-5-4-13-12(17)18-7-6-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine?
N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine has a molecular weight of 265.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[(5-methyl-1H-imidazol-2-yl)methyl]imidazol-2-yl]sulfanylethanamine is sourced from PubChem (CID 54105723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).