2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine

C17H27N3S — CID 103911042

IUPAC2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNC(C)c1nc2ccccc2n1C)SC
InChIInChI=1S/C17H27N3S/c1-6-17(7-2,21-5)12-18-13(3)16-19-14-10-8-9-11-15(14)20(16)4/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyNJWSZCKNGRPVRH-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.15
Rot. Bonds7

About 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine

2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine (PubChem CID 103911042) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine
PubChem CID103911042
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNC(C)c1nc2ccccc2n1C)SC
InChIInChI=1S/C17H27N3S/c1-6-17(7-2,21-5)12-18-13(3)16-19-14-10-8-9-11-15(14)20(16)4/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyNJWSZCKNGRPVRH-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 103917265
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
CID 103910844
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine?
The IUPAC name of 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine (CID 103911042) is 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine is CCC(CC)(CNC(C)c1nc2ccccc2n1C)SC.
What is the InChIKey of 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine?
The InChIKey is NJWSZCKNGRPVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-6-17(7-2,21-5)12-18-13(3)16-19-14-10-8-9-11-15(14)20(16)4/h8-11,13,18H,6-7,12H2,1-5H3.
What are the key properties of 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine?
2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103911042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).