1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine

C16H23N3S — CID 104755571

IUPAC1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCNC(CSc1nc2ccc(C)cc2[nH]1)C1CCCC1
InChIInChI=1S/C16H23N3S/c1-11-7-8-13-14(9-11)19-16(18-13)20-10-15(17-2)12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyRFRYOXJFVWHSMN-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.74
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine

1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (PubChem CID 104755571) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
PubChem CID104755571
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
SMILESCNC(CSc1nc2ccc(C)cc2[nH]1)C1CCCC1
InChIInChI=1S/C16H23N3S/c1-11-7-8-13-14(9-11)19-16(18-13)20-10-15(17-2)12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyRFRYOXJFVWHSMN-UHFFFAOYSA-N
XLogP3.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(methylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875615
N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
CID 62876454
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
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
6-methyl-2-(2-piperidin-2-ylethylsulfanyl)-1H-benzimidazole
CID 55126511
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
2-(cyclopropylamino)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 63033824
ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
CID 65214051
N-cyclohexyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 25239359

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (CID 104755571) is 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is CNC(CSc1nc2ccc(C)cc2[nH]1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
The InChIKey is RFRYOXJFVWHSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11-7-8-13-14(9-11)19-16(18-13)20-10-15(17-2)12-5-3-4-6-12/h7-9,12,15,17H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine?
1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 104755571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).