N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine

C15H21N3S — CID 80622599

IUPACN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)C1CCCS1
InChIInChI=1S/C15H21N3S/c1-16-12(14-8-5-9-19-14)10-15-17-11-6-3-4-7-13(11)18(15)2/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeyXGDRVGNPOMRPQA-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80622599) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
PubChem CID80622599
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)C1CCCS1
InChIInChI=1S/C15H21N3S/c1-16-12(14-8-5-9-19-14)10-15-17-11-6-3-4-7-13(11)18(15)2/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3
InChIKeyXGDRVGNPOMRPQA-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
CID 80626898
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622676
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105007618
N-methyl-2-(1-methylimidazol-2-yl)-1-(thiolan-2-yl)ethanamine
CID 80622951
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824368
1-cyclopropyl-N-methyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 79750805
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601341
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine (CID 80622599) is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine is CNC(Cc1nc2ccccc2n1C)C1CCCS1.
What is the InChIKey of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is XGDRVGNPOMRPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-16-12(14-8-5-9-19-14)10-15-17-11-6-3-4-7-13(11)18(15)2/h3-4,6-7,12,14,16H,5,8-10H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine?
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).