3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

C18H22N4S — CID 46986157

IUPAC3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1ccsc1CN(CCCn1ccnc1)Cc1ccncc1
InChIInChI=1S/C18H22N4S/c1-16-5-12-23-18(16)14-22(13-17-3-6-19-7-4-17)10-2-9-21-11-8-20-15-21/h3-8,11-12,15H,2,9-10,13-14H2,1H3
InChIKeyNOVQHNKXJJYJSH-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.74
Rot. Bonds8

About 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 46986157) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID46986157
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1ccsc1CN(CCCn1ccnc1)Cc1ccncc1
InChIInChI=1S/C18H22N4S/c1-16-5-12-23-18(16)14-22(13-17-3-6-19-7-4-17)10-2-9-21-11-8-20-15-21/h3-8,11-12,15H,2,9-10,13-14H2,1H3
InChIKeyNOVQHNKXJJYJSH-UHFFFAOYSA-N
XLogP3.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77094846
1-(3-imidazol-1-ylpropyl)-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71915368
[benzyl(3-imidazol-1-ylpropyl)amino]methanol;prop-1-yne
CID 142002586
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
CID 46962088
4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 74250549
3-(chloromethyl)-7,8-dimethylchromen-4-one;4-(5-imidazol-1-ylpentyl)pyridine;3-[[3-imidazol-1-ylpropyl(pyridin-4-ylmethyl)amino]methyl]-7,8-dimethylchromen-4-one
CID 167653369
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676768
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
CID 56918772
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 22744894
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 16677048
3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115882869

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (CID 46986157) is 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is Cc1ccsc1CN(CCCn1ccnc1)Cc1ccncc1.
What is the InChIKey of 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is NOVQHNKXJJYJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-16-5-12-23-18(16)14-22(13-17-3-6-19-7-4-17)10-2-9-21-11-8-20-15-21/h3-8,11-12,15H,2,9-10,13-14H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 326.47 g/mol, XLogP of 3.74, 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-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 46986157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).