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

C14H19N3S — CID 62876454

IUPACN-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
SMILESCc1ccc2nc(SCCCNC3CC3)[nH]c2c1
InChIInChI=1S/C14H19N3S/c1-10-3-6-12-13(9-10)17-14(16-12)18-8-2-7-15-11-4-5-11/h3,6,9,11,15H,2,4-5,7-8H2,1H3,(H,16,17)
InChIKeyUIMLTGUVGPSTMB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.11
Rot. Bonds6

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

N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine (PubChem CID 62876454) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
PubChem CID62876454
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
SMILESCc1ccc2nc(SCCCNC3CC3)[nH]c2c1
InChIInChI=1S/C14H19N3S/c1-10-3-6-12-13(9-10)17-14(16-12)18-8-2-7-15-11-4-5-11/h3,6,9,11,15H,2,4-5,7-8H2,1H3,(H,16,17)
InChIKeyUIMLTGUVGPSTMB-UHFFFAOYSA-N
XLogP3.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
CID 61386508
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780
2-(cyclopropylamino)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
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1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 104755571
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
CID 55126511
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]hexan-3-amine
CID 106808357
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55126749
2-(2-azidoethylsulfanyl)-6-methyl-1H-benzimidazole
CID 62874259

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine (CID 62876454) is N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine is Cc1ccc2nc(SCCCNC3CC3)[nH]c2c1.
What is the InChIKey of N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine?
The InChIKey is UIMLTGUVGPSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-3-6-12-13(9-10)17-14(16-12)18-8-2-7-15-11-4-5-11/h3,6,9,11,15H,2,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine?
N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine has a molecular weight of 261.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine is sourced from PubChem (CID 62876454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).