2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol

C15H23N3O2S — CID 106810924

IUPAC2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
SMILESCCC(N)(CO)CCCSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-3-15(16,10-19)7-4-8-21-14-17-12-6-5-11(20-2)9-13(12)18-14/h5-6,9,19H,3-4,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyVGPYDONNGVJWTQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.54
Rot. Bonds8

About 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol

2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 106810924) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID106810924
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
SMILESCCC(N)(CO)CCCSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-3-15(16,10-19)7-4-8-21-14-17-12-6-5-11(20-2)9-13(12)18-14/h5-6,9,19H,3-4,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyVGPYDONNGVJWTQ-UHFFFAOYSA-N
XLogP2.54
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoic acid;hydrobromide
CID 141040481
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
N'-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanimidamide
CID 76905937
N-ethyl-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-2-amine
CID 64647947
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
2-amino-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 64821084
4-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-2-(methylamino)butan-1-ol
CID 64820862
1-[4-[(2S)-butan-2-yl]phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7225511
2-(2-azidoethylsulfanyl)-6-methoxy-1H-benzimidazole
CID 61397241

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol (CID 106810924) is 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol is CCC(N)(CO)CCCSc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is VGPYDONNGVJWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-15(16,10-19)7-4-8-21-14-17-12-6-5-11(20-2)9-13(12)18-14/h5-6,9,19H,3-4,7-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol?
2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol has a molecular weight of 309.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 106810924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).