4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine

C14H19N3OS — CID 55114980

IUPAC4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCOc1ccc2nc(SC3CCC(N)CC3)[nH]c2c1
InChIInChI=1S/C14H19N3OS/c1-18-10-4-7-12-13(8-10)17-14(16-12)19-11-5-2-9(15)3-6-11/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,17)
InChIKeySXQNPBQOBQJWRE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.93
Rot. Bonds3

About 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine

4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine (PubChem CID 55114980) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine
PubChem CID55114980
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCOc1ccc2nc(SC3CCC(N)CC3)[nH]c2c1
InChIInChI=1S/C14H19N3OS/c1-18-10-4-7-12-13(8-10)17-14(16-12)19-11-5-2-9(15)3-6-11/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,17)
InChIKeySXQNPBQOBQJWRE-UHFFFAOYSA-N
XLogP2.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole
CID 62328459
N-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62583195
N-ethyl-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylcyclopentan-1-amine
CID 64904939
6-methoxy-2-(oxiran-2-ylmethylsulfanyl)-1H-benzimidazole
CID 43187883
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
CID 61386508
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
(3R)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 29127081
5,6-dimethoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one
CID 42656177
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-one
CID 64715864
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
N'-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanimidamide
CID 76915209

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine?
The IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine (CID 55114980) is 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine is COc1ccc2nc(SC3CCC(N)CC3)[nH]c2c1.
What is the InChIKey of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine?
The InChIKey is SXQNPBQOBQJWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-10-4-7-12-13(8-10)17-14(16-12)19-11-5-2-9(15)3-6-11/h4,7-9,11H,2-3,5-6,15H2,1H3,(H,16,17).
What are the key properties of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine?
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 55114980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).