N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine

C14H21N3S — CID 4737436

IUPACN-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine
SMILESCCSc1nc2ccccc2n1CN(CC)CC
InChIInChI=1S/C14H21N3S/c1-4-16(5-2)11-17-13-10-8-7-9-12(13)15-14(17)18-6-3/h7-10H,4-6,11H2,1-3H3
InChIKeyZKTQUGDPHMEEMZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.45
Rot. Bonds6

About N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine

N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine (PubChem CID 4737436) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine
PubChem CID4737436
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine
SMILESCCSc1nc2ccccc2n1CN(CC)CC
InChIInChI=1S/C14H21N3S/c1-4-16(5-2)11-17-13-10-8-7-9-12(13)15-14(17)18-6-3/h7-10H,4-6,11H2,1-3H3
InChIKeyZKTQUGDPHMEEMZ-UHFFFAOYSA-N
XLogP3.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686
cobalt(3+);N-[[2-[6-[1-(diethylaminomethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazol-1-yl]methyl]-N-ethylethanamine;trichloride
CID 70012320
N,N-diethyl-2-[2-(2-methoxyethylsulfanyl)benzimidazol-1-yl]ethanamine;dihydrochloride
CID 3027330
2-ethylsulfanyl-1-[(2-methylnaphthalen-1-yl)methyl]benzimidazole
CID 882682
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
N-(2-ethylsulfanylbenzimidazol-1-yl)propan-1-imine
CID 4196989
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
CID 2772432
2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine (CID 4737436) is N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine is CCSc1nc2ccccc2n1CN(CC)CC.
What is the InChIKey of N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine?
The InChIKey is ZKTQUGDPHMEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-16(5-2)11-17-13-10-8-7-9-12(13)15-14(17)18-6-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine?
N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-ethylsulfanylbenzimidazol-1-yl)methyl]ethanamine is sourced from PubChem (CID 4737436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).