1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine

C16H24N4 — CID 62980500

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CCN(C)C1CC1
InChIInChI=1S/C16H24N4/c1-11(2)16-18-14-10-12(17)4-7-15(14)20(16)9-8-19(3)13-5-6-13/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3
InChIKeyLCLUZOMMIBTYCO-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine

1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 62980500) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
PubChem CID62980500
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CCN(C)C1CC1
InChIInChI=1S/C16H24N4/c1-11(2)16-18-14-10-12(17)4-7-15(14)20(16)9-8-19(3)13-5-6-13/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3
InChIKeyLCLUZOMMIBTYCO-UHFFFAOYSA-N
XLogP2.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62494966
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
CID 62507368
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507903
1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497047
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 62640262

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine (CID 62980500) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1CCN(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is LCLUZOMMIBTYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)16-18-14-10-12(17)4-7-15(14)20(16)9-8-19(3)13-5-6-13/h4,7,10-11,13H,5-6,8-9,17H2,1-3H3.
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine?
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62980500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).