4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine

C14H21N3S — CID 64703066

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3S/c1-4-15-10(2)9-11(3)18-14-16-12-7-5-6-8-13(12)17-14/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyJJTMMCSYABOTAY-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.43
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine

4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine (PubChem CID 64703066) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine
PubChem CID64703066
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3S/c1-4-15-10(2)9-11(3)18-14-16-12-7-5-6-8-13(12)17-14/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyJJTMMCSYABOTAY-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylbutan-2-amine
CID 64621689
4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine
CID 64702681
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
CID 60913000
4-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-2-(propylamino)pentanenitrile
CID 64711531
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
4-(1H-benzimidazol-2-ylsulfanyl)-2-(ethylamino)butanenitrile
CID 63053189
N-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 62585057
5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 47148255
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64712113

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine (CID 64703066) is 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine is CCNC(C)CC(C)Sc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
The InChIKey is JJTMMCSYABOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-15-10(2)9-11(3)18-14-16-12-7-5-6-8-13(12)17-14/h5-8,10-11,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64703066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).