2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine

C15H21N3O2S — CID 63862217

IUPAC2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine
SMILESCCC1CCCCC1S(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C15H21N3O2S/c1-2-10-5-3-4-6-14(10)21(19,20)15-17-12-8-7-11(16)9-13(12)18-15/h7-10,14H,2-6,16H2,1H3,(H,17,18)
InChIKeyDBKBPYWUDLOWFM-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine

2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine (PubChem CID 63862217) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine
PubChem CID63862217
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine
SMILESCCC1CCCCC1S(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C15H21N3O2S/c1-2-10-5-3-4-6-14(10)21(19,20)15-17-12-8-7-11(16)9-13(12)18-15/h7-10,14H,2-6,16H2,1H3,(H,17,18)
InChIKeyDBKBPYWUDLOWFM-UHFFFAOYSA-N
XLogP2.89
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylsulfonyl)-3H-benzimidazol-5-amine
CID 61368397
2-(4-methylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine
CID 64775073
2-(2-methylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 62105341
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-cyclopropyl-N-methylacetamide
CID 61489004
2-(3,3-dimethylbutylsulfonyl)-3H-benzimidazol-5-amine
CID 61481241
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-1-pyrrolidin-1-ylethanone
CID 61368965
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide
CID 61368394
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 61367440
2-[(4-iodophenyl)methylsulfonyl]-3H-benzimidazol-5-amine
CID 65477729
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(2-pyrazol-1-ylethylsulfonyl)-3H-benzimidazol-5-amine
CID 61494710

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine (CID 63862217) is 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine is CCC1CCCCC1S(=O)(=O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine?
The InChIKey is DBKBPYWUDLOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-10-5-3-4-6-14(10)21(19,20)15-17-12-8-7-11(16)9-13(12)18-15/h7-10,14H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine?
2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine has a molecular weight of 307.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)sulfonyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 63862217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).