5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine

C16H22IN3 — CID 66080614

IUPAC5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine
SMILESCC1CCC(CCn2c(N)nc3cc(I)ccc32)CC1
InChIInChI=1S/C16H22IN3/c1-11-2-4-12(5-3-11)8-9-20-15-7-6-13(17)10-14(15)19-16(20)18/h6-7,10-12H,2-5,8-9H2,1H3,(H2,18,19)
InChIKeyGGZUGYHIFGSZNR-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.44
Rot. Bonds3

About 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine

5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine (PubChem CID 66080614) has the molecular formula C16H22IN3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine
PubChem CID66080614
Molecular FormulaC16H22IN3
Molecular Weight383.28 g/mol
Exact Mass383.09
IUPAC Name5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine
SMILESCC1CCC(CCn2c(N)nc3cc(I)ccc32)CC1
InChIInChI=1S/C16H22IN3/c1-11-2-4-12(5-3-11)8-9-20-15-7-6-13(17)10-14(15)19-16(20)18/h6-7,10-12H,2-5,8-9H2,1H3,(H2,18,19)
InChIKeyGGZUGYHIFGSZNR-UHFFFAOYSA-N
XLogP4.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.44
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-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]benzimidazol-2-amine
CID 114516247
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
2-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
5-iodo-1-[(1-methylpiperidin-2-yl)methyl]benzimidazol-2-amine
CID 66081003
1-[2-[di(propan-2-yl)amino]ethyl]-5-iodobenzimidazol-2-amine
CID 66080783
CID 89304662
CID 89304662
1-(3-ethylsulfanylpropyl)-5-iodobenzimidazol-2-amine
CID 114248498
2-(2-chloroethyl)-1-(2-cyclohexylethyl)-5-iodobenzimidazole
CID 66080253
5-iodo-1-(2-pyridin-4-ylethyl)benzimidazol-2-amine
CID 66080794
5-iodo-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419713
1-[2-(3,5-difluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66082390
ethyl 3-(2-amino-5-iodobenzimidazol-1-yl)propanoate
CID 66080213

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine (CID 66080614) is 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine is CC1CCC(CCn2c(N)nc3cc(I)ccc32)CC1.
What is the InChIKey of 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine?
The InChIKey is GGZUGYHIFGSZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN3/c1-11-2-4-12(5-3-11)8-9-20-15-7-6-13(17)10-14(15)19-16(20)18/h6-7,10-12H,2-5,8-9H2,1H3,(H2,18,19).
What are the key properties of 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine?
5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine has a molecular weight of 383.28 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[2-(4-methylcyclohexyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 66080614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).