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

C16H25N3S — CID 62874439

IUPACN-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Sc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H25N3S/c1-5-13(6-2)17-10-12(4)20-16-18-14-8-7-11(3)9-15(14)19-16/h7-9,12-13,17H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyZIWHDILAVMLELC-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.13
Rot. Bonds7

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

N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine (PubChem CID 62874439) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine
PubChem CID62874439
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)Sc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H25N3S/c1-5-13(6-2)17-10-12(4)20-16-18-14-8-7-11(3)9-15(14)19-16/h7-9,12-13,17H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyZIWHDILAVMLELC-UHFFFAOYSA-N
XLogP4.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-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

3-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]butan-1-amine
CID 62874777
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]hexan-3-amine
CID 106808357
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 62901634
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
3-amino-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64898748
5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 35163043
N-[(2S)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522885
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 24557244
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine?
The IUPAC name of N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine (CID 62874439) is N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine.
What is the SMILES notation for N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine?
The canonical SMILES for N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine is CCC(CC)NCC(C)Sc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine?
The InChIKey is ZIWHDILAVMLELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-13(6-2)17-10-12(4)20-16-18-14-8-7-11(3)9-15(14)19-16/h7-9,12-13,17H,5-6,10H2,1-4H3,(H,18,19).
What are the key properties of N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine?
N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine has a molecular weight of 291.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine is sourced from PubChem (CID 62874439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).