N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

C15H16N4S — CID 46987735

IUPACN-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccsc2)Cc2ncc[nH]2)c1
InChIInChI=1S/C15H16N4S/c1-2-13(8-16-4-1)9-19(10-14-3-7-20-12-14)11-15-17-5-6-18-15/h1-8,12H,9-11H2,(H,17,18)
InChIKeyLDPKHXKKPGZDAW-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.07
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46987735) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46987735
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESc1cncc(CN(Cc2ccsc2)Cc2ncc[nH]2)c1
InChIInChI=1S/C15H16N4S/c1-2-13(8-16-4-1)9-19(10-14-3-7-20-12-14)11-15-17-5-6-18-15/h1-8,12H,9-11H2,(H,17,18)
InChIKeyLDPKHXKKPGZDAW-UHFFFAOYSA-N
XLogP3.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119059655
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
CID 163328741
N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62555085
oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
CID 171155059
ethyl 4-[[pyridin-3-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyrazolidine-3-carboxylate
CID 75258095
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 74237314
1-butyl-3-(1H-imidazol-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 119064187
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (CID 46987735) is N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is c1cncc(CN(Cc2ccsc2)Cc2ncc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is LDPKHXKKPGZDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-13(8-16-4-1)9-19(10-14-3-7-20-12-14)11-15-17-5-6-18-15/h1-8,12H,9-11H2,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 284.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46987735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).