N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine

C14H21N3S — CID 115640025

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3S/c1-11(8-9-18-3)15-10-14-16-12-6-4-5-7-13(12)17(14)2/h4-7,11,15H,8-10H2,1-3H3
InChIKeyXZODMXAIMBGIKZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.80
Rot. Bonds6

About N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine

N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine (PubChem CID 115640025) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
PubChem CID115640025
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1nc2ccccc2n1C
InChIInChI=1S/C14H21N3S/c1-11(8-9-18-3)15-10-14-16-12-6-4-5-7-13(12)17(14)2/h4-7,11,15H,8-10H2,1-3H3
InChIKeyXZODMXAIMBGIKZ-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240297
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63001491
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine (CID 115640025) is N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NCc1nc2ccccc2n1C.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is XZODMXAIMBGIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(8-9-18-3)15-10-14-16-12-6-4-5-7-13(12)17(14)2/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115640025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).