3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine

C17H27N3O — CID 82335223

IUPAC3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
SMILESCC(C)Cn1c(CCCN)nc2cc(OC(C)C)ccc21
InChIInChI=1S/C17H27N3O/c1-12(2)11-20-16-8-7-14(21-13(3)4)10-15(16)19-17(20)6-5-9-18/h7-8,10,12-13H,5-6,9,11,18H2,1-4H3
InChIKeyKXKYIQDQPZONNO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.37
Rot. Bonds7

About 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine

3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine (PubChem CID 82335223) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
PubChem CID82335223
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
SMILESCC(C)Cn1c(CCCN)nc2cc(OC(C)C)ccc21
InChIInChI=1S/C17H27N3O/c1-12(2)11-20-16-8-7-14(21-13(3)4)10-15(16)19-17(20)6-5-9-18/h7-8,10,12-13H,5-6,9,11,18H2,1-4H3
InChIKeyKXKYIQDQPZONNO-UHFFFAOYSA-N
XLogP3.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine (CID 82335223) is 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine is CC(C)Cn1c(CCCN)nc2cc(OC(C)C)ccc21.
What is the InChIKey of 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine?
The InChIKey is KXKYIQDQPZONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)11-20-16-8-7-14(21-13(3)4)10-15(16)19-17(20)6-5-9-18/h7-8,10,12-13H,5-6,9,11,18H2,1-4H3.
What are the key properties of 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine?
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 82335223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).