1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine

C11H15N3S — CID 64621315

IUPAC1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
SMILESCNC(C)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3S/c1-8(12-2)7-15-11-13-9-5-3-4-6-10(9)14-11/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyIVGBVEVXYFCMHX-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.26
Rot. Bonds4

About 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine

1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine (PubChem CID 64621315) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
PubChem CID64621315
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
SMILESCNC(C)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3S/c1-8(12-2)7-15-11-13-9-5-3-4-6-10(9)14-11/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyIVGBVEVXYFCMHX-UHFFFAOYSA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64621295
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
3-(1H-benzimidazol-2-ylsulfanyl)-2-methylpropanenitrile
CID 43242882
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propan-2-ylamino)propan-2-ol
CID 43166360
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylbutan-2-amine
CID 64621689
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
CID 2827673
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-4-methylpentan-1-amine
CID 62583736
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propylamino)propan-2-ol
CID 43166361
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 62585057

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine (CID 64621315) is 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine is CNC(C)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine?
The InChIKey is IVGBVEVXYFCMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8(12-2)7-15-11-13-9-5-3-4-6-10(9)14-11/h3-6,8,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine?
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine is sourced from PubChem (CID 64621315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).