2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine

C18H29N3 — CID 115326894

IUPAC2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
SMILESCC(C)CCCCn1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C18H29N3/c1-13(2)8-6-7-11-21-16-10-9-14(19)12-15(16)20-17(21)18(3,4)5/h9-10,12-13H,6-8,11,19H2,1-5H3
InChIKeyCVRHXRRDDMNCNF-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.74
Rot. Bonds5

About 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine

2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine (PubChem CID 115326894) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
PubChem CID115326894
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
SMILESCC(C)CCCCn1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C18H29N3/c1-13(2)8-6-7-11-21-16-10-9-14(19)12-15(16)20-17(21)18(3,4)5/h9-10,12-13H,6-8,11,19H2,1-5H3
InChIKeyCVRHXRRDDMNCNF-UHFFFAOYSA-N
XLogP4.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980
2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
CID 82142178
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
1-(7-methyloctyl)benzimidazol-5-amine
CID 107818163
2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine
CID 106408046
1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114267054
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine (CID 115326894) is 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine is CC(C)CCCCn1c(C(C)(C)C)nc2cc(N)ccc21.
What is the InChIKey of 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine?
The InChIKey is CVRHXRRDDMNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)8-6-7-11-21-16-10-9-14(19)12-15(16)20-17(21)18(3,4)5/h9-10,12-13H,6-8,11,19H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine?
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine has a molecular weight of 287.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine is sourced from PubChem (CID 115326894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).