2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine

C17H25N3S — CID 64621304

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C17H25N3S/c1-3-12-9-10-15(18-4-2)16(11-12)21-17-19-13-7-5-6-8-14(13)20-17/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyVRYKHVVHSVVOCZ-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.21
Rot. Bonds5

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

2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine (PubChem CID 64621304) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
PubChem CID64621304
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C17H25N3S/c1-3-12-9-10-15(18-4-2)16(11-12)21-17-19-13-7-5-6-8-14(13)20-17/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyVRYKHVVHSVVOCZ-UHFFFAOYSA-N
XLogP4.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine
CID 64904939
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
4-ethyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylcyclohexan-1-amine
CID 107783843
2-[[(1R,3S,4R,6S)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]sulfanyl]-1H-benzimidazole
CID 102451382
2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611550
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 60664261
2-(1H-benzimidazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64621497
[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79645068
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine (CID 64621304) is 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine?
The InChIKey is VRYKHVVHSVVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-12-9-10-15(18-4-2)16(11-12)21-17-19-13-7-5-6-8-14(13)20-17/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine?
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.21, 5 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)-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 64621304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).