5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C16H19N3OS — CID 79499507

IUPAC5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2csc3ccccc23)N1CC1CCCO1
InChIInChI=1S/C16H19N3OS/c17-16-18-8-14(19(16)9-11-4-3-7-20-11)13-10-21-15-6-2-1-5-12(13)15/h1-2,5-6,10-11,14H,3-4,7-9H2,(H2,17,18)
InChIKeyZTUQJNYDXNDYDC-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.75
Rot. Bonds3

About 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79499507) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79499507
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2csc3ccccc23)N1CC1CCCO1
InChIInChI=1S/C16H19N3OS/c17-16-18-8-14(19(16)9-11-4-3-7-20-11)13-10-21-15-6-2-1-5-12(13)15/h1-2,5-6,10-11,14H,3-4,7-9H2,(H2,17,18)
InChIKeyZTUQJNYDXNDYDC-UHFFFAOYSA-N
XLogP2.75
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79505643
5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79498213
4-[2-amino-3-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-4-yl]phenol
CID 79505260
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
5-(3-fluoro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79500198
5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79505720
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
N-[1-(1-benzothiophen-3-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 68816836
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 63737763
1-(1-benzothiophen-3-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62698125
(3R)-3-(aminomethyl)-2-[[(2R)-oxolan-2-yl]methyl]-3H-isoindol-1-one
CID 125450679
2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole
CID 162021021

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79499507) is 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2csc3ccccc23)N1CC1CCCO1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZTUQJNYDXNDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-16-18-8-14(19(16)9-11-4-3-7-20-11)13-10-21-15-6-2-1-5-12(13)15/h1-2,5-6,10-11,14H,3-4,7-9H2,(H2,17,18).
What are the key properties of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 301.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79499507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).