N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine

C13H17N3OS — CID 61386508

IUPACN-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
SMILESCOc1ccc2nc(SCCNC3CC3)[nH]c2c1
InChIInChI=1S/C13H17N3OS/c1-17-10-4-5-11-12(8-10)16-13(15-11)18-7-6-14-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyXKXKYWNRLWLVCZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine

N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine (PubChem CID 61386508) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
PubChem CID61386508
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
SMILESCOc1ccc2nc(SCCNC3CC3)[nH]c2c1
InChIInChI=1S/C13H17N3OS/c1-17-10-4-5-11-12(8-10)16-13(15-11)18-7-6-14-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyXKXKYWNRLWLVCZ-UHFFFAOYSA-N
XLogP2.42
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine 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-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62583195
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]prop-2-yn-1-amine
CID 62583192
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(oxolan-3-ylmethyl)ethanamine
CID 62585239
N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
CID 62876454
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62583196
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxyethyl)butan-1-amine
CID 62585236
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
6-methoxy-2-(oxiran-2-ylmethylsulfanyl)-1H-benzimidazole
CID 43187883

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine (CID 61386508) is N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine is COc1ccc2nc(SCCNC3CC3)[nH]c2c1.
What is the InChIKey of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine?
The InChIKey is XKXKYWNRLWLVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-17-10-4-5-11-12(8-10)16-13(15-11)18-7-6-14-9-2-3-9/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine?
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine has a molecular weight of 263.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine is sourced from PubChem (CID 61386508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).