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

C14H21N3S — CID 113350156

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3S/c1-10(18-4)9-15-11(2)14-16-12-7-5-6-8-13(12)17(14)3/h5-8,10-11,15H,9H2,1-4H3
InChIKeyOPCDULJKPWXJAF-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.98
Rot. Bonds5

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

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine (PubChem CID 113350156) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
PubChem CID113350156
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNC(C)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3S/c1-10(18-4)9-15-11(2)14-16-12-7-5-6-8-13(12)17(14)3/h5-8,10-11,15H,9H2,1-4H3
InChIKeyOPCDULJKPWXJAF-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103911042
4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
CID 103910844
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
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
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115898723

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine (CID 113350156) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is OPCDULJKPWXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(18-4)9-15-11(2)14-16-12-7-5-6-8-13(12)17(14)3/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 113350156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).