8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine

C20H24N4S — CID 14685792

IUPAC8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCN1CCC(NC)c2cccc(CSc3nc4ccccc4[nH]3)c21
InChIInChI=1S/C20H24N4S/c1-3-24-12-11-16(21-2)15-8-6-7-14(19(15)24)13-25-20-22-17-9-4-5-10-18(17)23-20/h4-10,16,21H,3,11-13H2,1-2H3,(H,22,23)
InChIKeyYAWSDFNGMHJRBH-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.35
Rot. Bonds5

About 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine

8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 14685792) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID14685792
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCCN1CCC(NC)c2cccc(CSc3nc4ccccc4[nH]3)c21
InChIInChI=1S/C20H24N4S/c1-3-24-12-11-16(21-2)15-8-6-7-14(19(15)24)13-25-20-22-17-9-4-5-10-18(17)23-20/h4-10,16,21H,3,11-13H2,1-2H3,(H,22,23)
InChIKeyYAWSDFNGMHJRBH-UHFFFAOYSA-N
XLogP4.35
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
N-[8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-N-methylacetamide
CID 15053293
3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 75397691
2-[4-[2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 78801357
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
CID 741721
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N,N-dipropylbenzamide
CID 60520349
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile;hydrobromide
CID 20997813
[2-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112799561
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine (CID 14685792) is 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine is CCN1CCC(NC)c2cccc(CSc3nc4ccccc4[nH]3)c21.
What is the InChIKey of 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is YAWSDFNGMHJRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-3-24-12-11-16(21-2)15-8-6-7-14(19(15)24)13-25-20-22-17-9-4-5-10-18(17)23-20/h4-10,16,21H,3,11-13H2,1-2H3,(H,22,23).
What are the key properties of 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 352.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-N-methyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 14685792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).