2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H17N3S — CID 64621497

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3S/c18-16-12-6-2-1-5-11(12)9-10-15(16)21-17-19-13-7-3-4-8-14(13)20-17/h1-8,15-16H,9-10,18H2,(H,19,20)
InChIKeyLLNXGBGFDUGICX-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.67
Rot. Bonds2

About 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64621497) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64621497
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3S/c18-16-12-6-2-1-5-11(12)9-10-15(16)21-17-19-13-7-3-4-8-14(13)20-17/h1-8,15-16H,9-10,18H2,(H,19,20)
InChIKeyLLNXGBGFDUGICX-UHFFFAOYSA-N
XLogP3.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-ylsulfanyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42652894
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647889
6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64626125
2-[[(1R,3S,4R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]sulfanyl]-1H-benzimidazole
CID 102451382
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
(NE)-N-[2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 6264734
(NZ)-N-[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)cyclooctylidene]hydroxylamine
CID 40543877
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4817958
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029
1-amino-3-(1H-benzimidazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654615

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64621497) is 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LLNXGBGFDUGICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c18-16-12-6-2-1-5-11(12)9-10-15(16)21-17-19-13-7-3-4-8-14(13)20-17/h1-8,15-16H,9-10,18H2,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 295.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64621497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).