4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol

C14H21N3OS — CID 64807835

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCSc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3OS/c1-2-8-15-11(10-18)7-9-19-14-16-12-5-3-4-6-13(12)17-14/h3-6,11,15,18H,2,7-10H2,1H3,(H,16,17)
InChIKeyBQVMPLWQYGLSPL-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.41
Rot. Bonds8

About 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol

4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol (PubChem CID 64807835) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol
PubChem CID64807835
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCSc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3OS/c1-2-8-15-11(10-18)7-9-19-14-16-12-5-3-4-6-13(12)17-14/h3-6,11,15,18H,2,7-10H2,1H3,(H,16,17)
InChIKeyBQVMPLWQYGLSPL-UHFFFAOYSA-N
XLogP2.41
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butanoate
CID 63033775
4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol
CID 64806382
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylbutan-2-amine
CID 64621689
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 62585057
4-(1H-benzimidazol-2-ylsulfanyl)-2-(ethylamino)butanenitrile
CID 63053189
ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-2-(methylamino)butanoate
CID 63034322
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 62582637
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
CID 64821086
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propylamino)propan-2-ol
CID 43166361
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol (CID 64807835) is 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol is CCCNC(CO)CCSc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol?
The InChIKey is BQVMPLWQYGLSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-8-15-11(10-18)7-9-19-14-16-12-5-3-4-6-13(12)17-14/h3-6,11,15,18H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol?
4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol has a molecular weight of 279.41 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64807835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).