5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine

C17H24IN3 — CID 103967512

IUPAC5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine
SMILESCC1(C)CC(n2c(N)nc3cc(I)ccc32)CC(C)(C)C1
InChIInChI=1S/C17H24IN3/c1-16(2)8-12(9-17(3,4)10-16)21-14-6-5-11(18)7-13(14)20-15(21)19/h5-7,12H,8-10H2,1-4H3,(H2,19,20)
InChIKeyVGKNOMZEQQFZQG-UHFFFAOYSA-N
MW397.30 g/mol
LogP5.00
Rot. Bonds1

About 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine

5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine (PubChem CID 103967512) has the molecular formula C17H24IN3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine
PubChem CID103967512
Molecular FormulaC17H24IN3
Molecular Weight397.30 g/mol
Exact Mass397.10
IUPAC Name5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine
SMILESCC1(C)CC(n2c(N)nc3cc(I)ccc32)CC(C)(C)C1
InChIInChI=1S/C17H24IN3/c1-16(2)8-12(9-17(3,4)10-16)21-14-6-5-11(18)7-13(14)20-15(21)19/h5-7,12H,8-10H2,1-4H3,(H2,19,20)
InChIKeyVGKNOMZEQQFZQG-UHFFFAOYSA-N
XLogP5.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-1-(2-methyloxan-4-yl)benzimidazol-2-amine
CID 114108831
5-iodo-1-(oxan-3-yl)benzimidazol-2-amine
CID 66081998
5-iodo-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729283
3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione
CID 66080420
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
CID 170911669
5-iodo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-2-amine
CID 66080019
5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
CID 114541151
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
CID 66080790
2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine
CID 114541150

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine (CID 103967512) is 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine is CC1(C)CC(n2c(N)nc3cc(I)ccc32)CC(C)(C)C1.
What is the InChIKey of 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
The InChIKey is VGKNOMZEQQFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24IN3/c1-16(2)8-12(9-17(3,4)10-16)21-14-6-5-11(18)7-13(14)20-15(21)19/h5-7,12H,8-10H2,1-4H3,(H2,19,20).
What are the key properties of 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine?
5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine has a molecular weight of 397.30 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(3,3,5,5-tetramethylcyclohexyl)benzimidazol-2-amine is sourced from PubChem (CID 103967512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).