2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine

C18H27N3 — CID 79360481

IUPAC2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CC1C(C)(C)C1(C)C
InChIInChI=1S/C18H27N3/c1-11(2)16-20-13-9-12(19)7-8-14(13)21(16)10-15-17(3,4)18(15,5)6/h7-9,11,15H,10,19H2,1-6H3
InChIKeyXUNIGUDJWYOREQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.42
Rot. Bonds3

About 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine

2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine (PubChem CID 79360481) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
PubChem CID79360481
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CC1C(C)(C)C1(C)C
InChIInChI=1S/C18H27N3/c1-11(2)16-20-13-9-12(19)7-8-14(13)21(16)10-15-17(3,4)18(15,5)6/h7-9,11,15H,10,19H2,1-6H3
InChIKeyXUNIGUDJWYOREQ-UHFFFAOYSA-N
XLogP4.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.42
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-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507903
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62494966
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
CID 62507368

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine (CID 79360481) is 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1CC1C(C)(C)C1(C)C.
What is the InChIKey of 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
The InChIKey is XUNIGUDJWYOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-11(2)16-20-13-9-12(19)7-8-14(13)21(16)10-15-17(3,4)18(15,5)6/h7-9,11,15H,10,19H2,1-6H3.
What are the key properties of 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 79360481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).