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

C14H19N3OS — CID 64806382

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol
SMILESOCC(CCSc1nc2ccccc2[nH]1)NC1CC1
InChIInChI=1S/C14H19N3OS/c18-9-11(15-10-5-6-10)7-8-19-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11,15,18H,5-9H2,(H,16,17)
InChIKeyOSJUCGWWHUKYGW-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.16
Rot. Bonds7

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

4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol (PubChem CID 64806382) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol
PubChem CID64806382
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol
SMILESOCC(CCSc1nc2ccccc2[nH]1)NC1CC1
InChIInChI=1S/C14H19N3OS/c18-9-11(15-10-5-6-10)7-8-19-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11,15,18H,5-9H2,(H,16,17)
InChIKeyOSJUCGWWHUKYGW-UHFFFAOYSA-N
XLogP2.16
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butan-1-ol
CID 64807835
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-(cyclopropylamino)-4-pyrimidin-2-ylsulfanylbutan-1-ol
CID 64807050
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylbutan-2-amine
CID 64621689
3-(1H-benzimidazol-2-ylsulfanyl)propane-1,2-diol
CID 2827673
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-(cyclopropylamino)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 63033824
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123
ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-2-(methylamino)butanoate
CID 63034322
methyl 4-(1H-benzimidazol-2-ylsulfanyl)-2-(propylamino)butanoate
CID 63033775

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol (CID 64806382) is 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol is OCC(CCSc1nc2ccccc2[nH]1)NC1CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol?
The InChIKey is OSJUCGWWHUKYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-9-11(15-10-5-6-10)7-8-19-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11,15,18H,5-9H2,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol?
4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)butan-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.16, 7 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-(cyclopropylamino)butan-1-ol is sourced from PubChem (CID 64806382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).