1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole

C18H25N3OS — CID 56874022

IUPAC1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole
SMILESc1cn(CC2CCOCC2)c(-c2cc(CN3CCCC3)cs2)n1
InChIInChI=1S/C18H25N3OS/c1-2-7-20(6-1)12-16-11-17(23-14-16)18-19-5-8-21(18)13-15-3-9-22-10-4-15/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2
InChIKeyIKPPUCOUABLBPX-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.63
Rot. Bonds5

About 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole

1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole (PubChem CID 56874022) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole
PubChem CID56874022
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC Name1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole
SMILESc1cn(CC2CCOCC2)c(-c2cc(CN3CCCC3)cs2)n1
InChIInChI=1S/C18H25N3OS/c1-2-7-20(6-1)12-16-11-17(23-14-16)18-19-5-8-21(18)13-15-3-9-22-10-4-15/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2
InChIKeyIKPPUCOUABLBPX-UHFFFAOYSA-N
XLogP3.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine
CID 46986746
N,N-dimethyl-1-{5-[1-(3-thienylmethyl)-1H-imidazol-2-yl]-3-thienyl}methanamine
CID 56745066
1-({5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-thienyl}methyl)piperidine
CID 56745556
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
3-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}-1,3-oxazinan-2-one
CID 56899674
2-(3-methyl-2-thienyl)-1-[2-(pyrrolidin-1-ylsulfonyl)ethyl]-1H-imidazole
CID 70750663
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 50953248
ethyl 4-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]piperidine-1-carboxylate
CID 56866312
{(2S,4R)-4-[2-(5-isobutyl-2-thienyl)-1H-imidazol-1-yl]-1-methylpyrrolidin-2-yl}methanol
CID 70722945
N,N-dimethyl-1-(5-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}-3-thienyl)methanamine
CID 70783955
1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole
CID 95215257
(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol
CID 96577477

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole (CID 56874022) is 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole is c1cn(CC2CCOCC2)c(-c2cc(CN3CCCC3)cs2)n1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole?
The InChIKey is IKPPUCOUABLBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-2-7-20(6-1)12-16-11-17(23-14-16)18-19-5-8-21(18)13-15-3-9-22-10-4-15/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2.
What are the key properties of 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole?
1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole has a molecular weight of 331.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-2-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazole is sourced from PubChem (CID 56874022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).