2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine

C15H21N3O — CID 104765893

IUPAC2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
SMILESCC(C)OCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C15H21N3O/c1-10(2)19-8-7-18-14-6-5-12(16)9-13(14)17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8,16H2,1-2H3
InChIKeyPKTUGPIRSHWRJG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.92
Rot. Bonds5

About 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine

2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine (PubChem CID 104765893) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
PubChem CID104765893
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
SMILESCC(C)OCCn1c(C2CC2)nc2cc(N)ccc21
InChIInChI=1S/C15H21N3O/c1-10(2)19-8-7-18-14-6-5-12(16)9-13(14)17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8,16H2,1-2H3
InChIKeyPKTUGPIRSHWRJG-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine (CID 104765893) is 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine is CC(C)OCCn1c(C2CC2)nc2cc(N)ccc21.
What is the InChIKey of 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine?
The InChIKey is PKTUGPIRSHWRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)19-8-7-18-14-6-5-12(16)9-13(14)17-15(18)11-3-4-11/h5-6,9-11H,3-4,7-8,16H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine?
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine is sourced from PubChem (CID 104765893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).