2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide

C14H18N4OS — CID 50966332

IUPAC2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1-c1ccc(CN2CCCC2)s1
InChIInChI=1S/C14H18N4OS/c15-13(19)10-18-8-5-16-14(18)12-4-3-11(20-12)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9-10H2,(H2,15,19)
InChIKeyXYQPSHCGVCBEHX-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide

2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide (PubChem CID 50966332) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide
PubChem CID50966332
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1-c1ccc(CN2CCCC2)s1
InChIInChI=1S/C14H18N4OS/c15-13(19)10-18-8-5-16-14(18)12-4-3-11(20-12)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9-10H2,(H2,15,19)
InChIKeyXYQPSHCGVCBEHX-UHFFFAOYSA-N
XLogP1.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-pyridin-2-ylthiophen-2-yl)methyl]azepane
CID 18700032
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
7-[2-[5-(piperidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138386634
2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 175744244
5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 18699996
5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63377944
5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine
CID 18699982
ethyl 4-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine-1-carboxylate
CID 91796041
2-[2-(2,5-dichlorophenyl)imidazol-1-yl]acetamide
CID 82559595
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222
2-[5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethyl acetate
CID 18699979

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide (CID 50966332) is 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1-c1ccc(CN2CCCC2)s1.
What is the InChIKey of 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide?
The InChIKey is XYQPSHCGVCBEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-13(19)10-18-8-5-16-14(18)12-4-3-11(20-12)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9-10H2,(H2,15,19).
What are the key properties of 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide?
2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 50966332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).