N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine

C14H21N3OS — CID 70810022

IUPACN,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine
SMILESCCCSc1nc2ccc(OCCN(C)C)cc2[nH]1
InChIInChI=1S/C14H21N3OS/c1-4-9-19-14-15-12-6-5-11(10-13(12)16-14)18-8-7-17(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyNRPNSUPLZPZYGT-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.01
Rot. Bonds7

About N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine

N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine (PubChem CID 70810022) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine
PubChem CID70810022
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine
SMILESCCCSc1nc2ccc(OCCN(C)C)cc2[nH]1
InChIInChI=1S/C14H21N3OS/c1-4-9-19-14-15-12-6-5-11(10-13(12)16-14)18-8-7-17(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyNRPNSUPLZPZYGT-UHFFFAOYSA-N
XLogP3.01
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylethanamine
CID 10314534
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62583196
6-dodecoxy-2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole
CID 4169699
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 61385799
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 43187638
2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
CID 84617398
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole
CID 18879551
2-[3-(dimethylamino)propylsulfanyl]-3H-benzimidazol-5-ol
CID 84617400

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine (CID 70810022) is N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine is CCCSc1nc2ccc(OCCN(C)C)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine?
The InChIKey is NRPNSUPLZPZYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-9-19-14-15-12-6-5-11(10-13(12)16-14)18-8-7-17(2)3/h5-6,10H,4,7-9H2,1-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine?
N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine is sourced from PubChem (CID 70810022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).