N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine

C15H23N3OS — CID 115898723

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
SMILESCC(NCCC(C)S(C)=O)c1nc2ccccc2n1C
InChIInChI=1S/C15H23N3OS/c1-11(20(4)19)9-10-16-12(2)15-17-13-7-5-6-8-14(13)18(15)3/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyHJUAHCZBNGCSFG-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.38
Rot. Bonds6

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine (PubChem CID 115898723) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
PubChem CID115898723
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
SMILESCC(NCCC(C)S(C)=O)c1nc2ccccc2n1C
InChIInChI=1S/C15H23N3OS/c1-11(20(4)19)9-10-16-12(2)15-17-13-7-5-6-8-14(13)18(15)3/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyHJUAHCZBNGCSFG-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.38
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
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N',N'-diethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]propane-1,3-diamine
CID 43194800
1,1-dimethyl-3-[2-[1-(1-methylbenzimidazol-2-yl)ethylamino]ethyl]urea
CID 83108527
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine (CID 115898723) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine is CC(NCCC(C)S(C)=O)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
The InChIKey is HJUAHCZBNGCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(20(4)19)9-10-16-12(2)15-17-13-7-5-6-8-14(13)18(15)3/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 2.38, 6 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]-3-methylsulfinylbutan-1-amine is sourced from PubChem (CID 115898723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).