3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol

C15H23N3O2S — CID 64821086

IUPAC3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CSc1nc2ccc(OCC)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-3-7-16-11(9-19)10-21-15-17-13-6-5-12(20-4-2)8-14(13)18-15/h5-6,8,11,16,19H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyXAJNMBYJVMDKPQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.41
Rot. Bonds9

About 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol (PubChem CID 64821086) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
PubChem CID64821086
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CSc1nc2ccc(OCC)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-3-7-16-11(9-19)10-21-15-17-13-6-5-12(20-4-2)8-14(13)18-15/h5-6,8,11,16,19H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyXAJNMBYJVMDKPQ-UHFFFAOYSA-N
XLogP2.41
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(ethylamino)propan-1-ol
CID 64820422
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927743
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 61385799
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
CID 64806817
methyl 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanoate
CID 43400753
1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine
CID 107511384
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
1-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-propan-2-yloxypropan-2-ol
CID 60670681
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanimidamide
CID 43369001
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-2-(methylamino)propan-1-ol
CID 64821309

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol (CID 64821086) is 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol is CCCNC(CO)CSc1nc2ccc(OCC)cc2[nH]1.
What is the InChIKey of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol?
The InChIKey is XAJNMBYJVMDKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-7-16-11(9-19)10-21-15-17-13-6-5-12(20-4-2)8-14(13)18-15/h5-6,8,11,16,19H,3-4,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol?
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol has a molecular weight of 309.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64821086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).