3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol

C14H21N3O2S — CID 114370156

IUPAC3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol
SMILESCCCC(N)C(CO)Sc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H21N3O2S/c1-3-4-10(15)13(8-18)20-14-16-11-6-5-9(19-2)7-12(11)17-14/h5-7,10,13,18H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyLTPNMBMSXILILA-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.15
Rot. Bonds7

About 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol

3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol (PubChem CID 114370156) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol
PubChem CID114370156
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol
SMILESCCCC(N)C(CO)Sc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H21N3O2S/c1-3-4-10(15)13(8-18)20-14-16-11-6-5-9(19-2)7-12(11)17-14/h5-7,10,13,18H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyLTPNMBMSXILILA-UHFFFAOYSA-N
XLogP2.15
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanoate
CID 79004757
3-amino-3-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 114370005
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
N'-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanimidamide
CID 76915209
6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
3-amino-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64898748
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927743
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
4,4,4-trifluoro-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 63098932
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
CID 64806817

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol?
The IUPAC name of 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol (CID 114370156) is 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol.
What is the SMILES notation for 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol?
The canonical SMILES for 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol is CCCC(N)C(CO)Sc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol?
The InChIKey is LTPNMBMSXILILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-4-10(15)13(8-18)20-14-16-11-6-5-9(19-2)7-12(11)17-14/h5-7,10,13,18H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol?
3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol has a molecular weight of 295.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-1-ol is sourced from PubChem (CID 114370156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).