1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine

C16H25N3O — CID 104829021

IUPAC1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
SMILESCC(C)Oc1cccc2c1nc(N)n2C(C)C(C)(C)C
InChIInChI=1S/C16H25N3O/c1-10(2)20-13-9-7-8-12-14(13)18-15(17)19(12)11(3)16(4,5)6/h7-11H,1-6H3,(H2,17,18)
InChIKeyNGIWPMKEESTWCY-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.01
Rot. Bonds3

About 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine

1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine (PubChem CID 104829021) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
PubChem CID104829021
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
SMILESCC(C)Oc1cccc2c1nc(N)n2C(C)C(C)(C)C
InChIInChI=1S/C16H25N3O/c1-10(2)20-13-9-7-8-12-14(13)18-15(17)19(12)11(3)16(4,5)6/h7-11H,1-6H3,(H2,17,18)
InChIKeyNGIWPMKEESTWCY-UHFFFAOYSA-N
XLogP4.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
CID 113393056
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
CID 106406007
1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 106406074
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240102
2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
CID 106346313
1-(3,3-dimethylbutan-2-yl)-6-fluorobenzimidazol-2-amine
CID 104828994
3-(3,3-dimethylbutan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 104828995
2-(2-amino-4-ethoxybenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103112206
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
1-(3,3-dimethylbutan-2-yl)-6-(2-phenylethynyl)benzimidazol-2-amine
CID 66868796

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine (CID 104829021) is 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine is CC(C)Oc1cccc2c1nc(N)n2C(C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine?
The InChIKey is NGIWPMKEESTWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(2)20-13-9-7-8-12-14(13)18-15(17)19(12)11(3)16(4,5)6/h7-11H,1-6H3,(H2,17,18).
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine?
1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine is sourced from PubChem (CID 104829021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).