1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine

C15H23N3OS — CID 107511384

IUPAC1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine
SMILESCCCNC(COC)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C15H23N3OS/c1-4-7-16-12(9-19-3)10-20-15-17-13-6-5-11(2)8-14(13)18-15/h5-6,8,12,16H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyHKKQIVSZQCWPEM-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.98
Rot. Bonds8

About 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine

1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine (PubChem CID 107511384) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine
PubChem CID107511384
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine
SMILESCCCNC(COC)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C15H23N3OS/c1-4-7-16-12(9-19-3)10-20-15-17-13-6-5-11(2)8-14(13)18-15/h5-6,8,12,16H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyHKKQIVSZQCWPEM-UHFFFAOYSA-N
XLogP2.98
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine
CID 107511303
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
CID 64821086
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927743
ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
methyl 2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875615
2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55126749
1-methoxy-N-propyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-amine
CID 107511261
2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 60656440
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]hexan-3-amine
CID 106808357

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine (CID 107511384) is 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine is CCCNC(COC)CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine?
The InChIKey is HKKQIVSZQCWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-7-16-12(9-19-3)10-20-15-17-13-6-5-11(2)8-14(13)18-15/h5-6,8,12,16H,4,7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine?
1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine has a molecular weight of 293.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine is sourced from PubChem (CID 107511384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).