2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine

C18H27N3 — CID 63830504

IUPAC2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
SMILESCC1(Cn2c(C(C)(C)C)nc3cc(N)ccc32)CCCC1
InChIInChI=1S/C18H27N3/c1-17(2,3)16-20-14-11-13(19)7-8-15(14)21(16)12-18(4)9-5-6-10-18/h7-8,11H,5-6,9-10,12,19H2,1-4H3
InChIKeyABRMSCHXFUJHAZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.50
Rot. Bonds2

About 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine

2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine (PubChem CID 63830504) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
PubChem CID63830504
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
SMILESCC1(Cn2c(C(C)(C)C)nc3cc(N)ccc32)CCCC1
InChIInChI=1S/C18H27N3/c1-17(2,3)16-20-14-11-13(19)7-8-15(14)21(16)12-18(4)9-5-6-10-18/h7-8,11H,5-6,9-10,12,19H2,1-4H3
InChIKeyABRMSCHXFUJHAZ-UHFFFAOYSA-N
XLogP4.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322
2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830686
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol
CID 143224299
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine
CID 62508064
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide
CID 106098514
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine (CID 63830504) is 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine is CC1(Cn2c(C(C)(C)C)nc3cc(N)ccc32)CCCC1.
What is the InChIKey of 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The InChIKey is ABRMSCHXFUJHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-17(2,3)16-20-14-11-13(19)7-8-15(14)21(16)12-18(4)9-5-6-10-18/h7-8,11H,5-6,9-10,12,19H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 63830504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).