3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine

C17H19N3S — CID 43470493

IUPAC3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine
SMILESCSCCC(N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H19N3S/c1-21-12-11-14(18)17-19-15-9-5-6-10-16(15)20(17)13-7-3-2-4-8-13/h2-10,14H,11-12,18H2,1H3
InChIKeyBRZGQJGFHNIDIW-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.78
Rot. Bonds5

About 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine

3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine (PubChem CID 43470493) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine
PubChem CID43470493
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine
SMILESCSCCC(N)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C17H19N3S/c1-21-12-11-14(18)17-19-15-9-5-6-10-16(15)20(17)13-7-3-2-4-8-13/h2-10,14H,11-12,18H2,1H3
InChIKeyBRZGQJGFHNIDIW-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
CID 71755974
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
CID 78166390
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54919733
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 60784384
(1R)-1-[5-methyl-2-(2-methylphenyl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131920819

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine (CID 43470493) is 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine is CSCCC(N)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is BRZGQJGFHNIDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-21-12-11-14(18)17-19-15-9-5-6-10-16(15)20(17)13-7-3-2-4-8-13/h2-10,14H,11-12,18H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine?
3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 297.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 43470493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).