propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate

C15H21N3O2 — CID 82067422

IUPACpropyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
SMILESCCCOC(=O)Cn1c(C(C)C)nc2c(N)cccc21
InChIInChI=1S/C15H21N3O2/c1-4-8-20-13(19)9-18-12-7-5-6-11(16)14(12)17-15(18)10(2)3/h5-7,10H,4,8-9,16H2,1-3H3
InChIKeySAWCYOCECSEKPD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.70
Rot. Bonds5

About propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate

propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate (PubChem CID 82067422) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
PubChem CID82067422
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namepropyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
SMILESCCCOC(=O)Cn1c(C(C)C)nc2c(N)cccc21
InChIInChI=1S/C15H21N3O2/c1-4-8-20-13(19)9-18-12-7-5-6-11(16)14(12)17-15(18)10(2)3/h5-7,10H,4,8-9,16H2,1-3H3
InChIKeySAWCYOCECSEKPD-UHFFFAOYSA-N
XLogP2.70
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548
methyl 2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]acetate
CID 82067665
1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
CID 82067478
2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
CID 93215632
propan-2-yl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)butanoate
CID 82067433
propan-2-yl 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetate
CID 82067496
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
methyl 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propanoate
CID 82067547

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate?
The IUPAC name of propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate (CID 82067422) is propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate.
What is the SMILES notation for propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate?
The canonical SMILES for propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate is CCCOC(=O)Cn1c(C(C)C)nc2c(N)cccc21.
What is the InChIKey of propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate?
The InChIKey is SAWCYOCECSEKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-20-13(19)9-18-12-7-5-6-11(16)14(12)17-15(18)10(2)3/h5-7,10H,4,8-9,16H2,1-3H3.
What are the key properties of propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate?
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate has a molecular weight of 275.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 82067422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).