5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione

C11H15N3OS — CID 121006527

IUPAC5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione
SMILESCN(C)CCOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-14(2)5-6-15-8-3-4-9-10(7-8)13-11(16)12-9/h3-4,7H,5-6H2,1-2H3,(H2,12,13,16)
InChIKeyRQXXRTKDPFEDPN-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.17
Rot. Bonds4

About 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione

5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione (PubChem CID 121006527) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione
PubChem CID121006527
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione
SMILESCN(C)CCOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-14(2)5-6-15-8-3-4-9-10(7-8)13-11(16)12-9/h3-4,7H,5-6H2,1-2H3,(H2,12,13,16)
InChIKeyRQXXRTKDPFEDPN-UHFFFAOYSA-N
XLogP2.17
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-propoxy-1,3-dihydrobenzimidazole-2-thione
CID 14902017
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
CID 57439762
N,N-dimethyl-2-[(3-methyl-1H-indol-6-yl)oxy]ethanamine
CID 144980968
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione
CID 18966959
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 82220385
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine
CID 70810022

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione (CID 121006527) is 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione is CN(C)CCOc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is RQXXRTKDPFEDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14(2)5-6-15-8-3-4-9-10(7-8)13-11(16)12-9/h3-4,7H,5-6H2,1-2H3,(H2,12,13,16).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione?
5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 237.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 121006527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).