1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine

C17H27N3S — CID 79756659

IUPAC1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
SMILESCCCNC(CSC)Cc1nc2ccccc2n1CCC
InChIInChI=1S/C17H27N3S/c1-4-10-18-14(13-21-3)12-17-19-15-8-6-7-9-16(15)20(17)11-5-2/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyKEEZWYNIZLRNMK-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.72
Rot. Bonds9

About 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine

1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine (PubChem CID 79756659) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
PubChem CID79756659
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
SMILESCCCNC(CSC)Cc1nc2ccccc2n1CCC
InChIInChI=1S/C17H27N3S/c1-4-10-18-14(13-21-3)12-17-19-15-8-6-7-9-16(15)20(17)11-5-2/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKeyKEEZWYNIZLRNMK-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 103516847
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 103089740
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
1-(1-methylbenzimidazol-2-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105164919
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine (CID 79756659) is 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine is CCCNC(CSC)Cc1nc2ccccc2n1CCC.
What is the InChIKey of 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is KEEZWYNIZLRNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-4-10-18-14(13-21-3)12-17-19-15-8-6-7-9-16(15)20(17)11-5-2/h6-9,14,18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 305.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79756659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).