1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine

C17H27N3O — CID 82335299

IUPAC1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2cc(OC(C)C)ccc2n1CC
InChIInChI=1S/C17H27N3O/c1-5-7-8-14(18)17-19-15-11-13(21-12(3)4)9-10-16(15)20(17)6-2/h9-12,14H,5-8,18H2,1-4H3
InChIKeyIGFPYBMDAFDZIQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.03
Rot. Bonds7

About 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine

1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine (PubChem CID 82335299) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
PubChem CID82335299
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2cc(OC(C)C)ccc2n1CC
InChIInChI=1S/C17H27N3O/c1-5-7-8-14(18)17-19-15-11-13(21-12(3)4)9-10-16(15)20(17)6-2/h9-12,14H,5-8,18H2,1-4H3
InChIKeyIGFPYBMDAFDZIQ-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine (CID 82335299) is 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine is CCCCC(N)c1nc2cc(OC(C)C)ccc2n1CC.
What is the InChIKey of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine?
The InChIKey is IGFPYBMDAFDZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-7-8-14(18)17-19-15-11-13(21-12(3)4)9-10-16(15)20(17)6-2/h9-12,14H,5-8,18H2,1-4H3.
What are the key properties of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine?
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 82335299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).