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

C12H17N3O — CID 104763114

IUPAC1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCC(C)OCCn1c(N)nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-9(2)16-8-7-15-11-6-4-3-5-10(11)14-12(15)13/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyWRXWGJNYVSCUMO-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.04
Rot. Bonds4

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

1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (PubChem CID 104763114) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
PubChem CID104763114
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
SMILESCC(C)OCCn1c(N)nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-9(2)16-8-7-15-11-6-4-3-5-10(11)14-12(15)13/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyWRXWGJNYVSCUMO-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
6-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763122
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide
CID 77002937
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
2-(chloromethyl)-1-(4-propan-2-yloxybutyl)benzimidazole
CID 106005117
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The IUPAC name of 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine (CID 104763114) is 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is CC(C)OCCn1c(N)nc2ccccc21.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
The InChIKey is WRXWGJNYVSCUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)16-8-7-15-11-6-4-3-5-10(11)14-12(15)13/h3-6,9H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine?
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)benzimidazol-2-amine is sourced from PubChem (CID 104763114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).