N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine

C17H25N3S — CID 80626898

IUPACN-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
SMILESCCNC(Cc1nc2ccccc2n1C)C1CCCCS1
InChIInChI=1S/C17H25N3S/c1-3-18-14(16-10-6-7-11-21-16)12-17-19-13-8-4-5-9-15(13)20(17)2/h4-5,8-9,14,16,18H,3,6-7,10-12H2,1-2H3
InChIKeyWZUZFSYSRAHUOF-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.38
Rot. Bonds5

About N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine

N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine (PubChem CID 80626898) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
PubChem CID80626898
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
SMILESCCNC(Cc1nc2ccccc2n1C)C1CCCCS1
InChIInChI=1S/C17H25N3S/c1-3-18-14(16-10-6-7-11-21-16)12-17-19-13-8-4-5-9-15(13)20(17)2/h4-5,8-9,14,16,18H,3,6-7,10-12H2,1-2H3
InChIKeyWZUZFSYSRAHUOF-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622599
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622676
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
CID 80622972
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601341
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine (CID 80626898) is N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine is CCNC(Cc1nc2ccccc2n1C)C1CCCCS1.
What is the InChIKey of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine?
The InChIKey is WZUZFSYSRAHUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-18-14(16-10-6-7-11-21-16)12-17-19-13-8-4-5-9-15(13)20(17)2/h4-5,8-9,14,16,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine?
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine has a molecular weight of 303.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine is sourced from PubChem (CID 80626898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).