N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine

C17H27N3O — CID 82335320

IUPACN-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(OC(C)C)ccc2n1CC
InChIInChI=1S/C17H27N3O/c1-5-10-18-11-9-17-19-15-12-14(21-13(3)4)7-8-16(15)20(17)6-2/h7-8,12-13,18H,5-6,9-11H2,1-4H3
InChIKeyFHXHPLRYDYNDPD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine

N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82335320) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82335320
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2cc(OC(C)C)ccc2n1CC
InChIInChI=1S/C17H27N3O/c1-5-10-18-11-9-17-19-15-12-14(21-13(3)4)7-8-16(15)20(17)6-2/h7-8,12-13,18H,5-6,9-11H2,1-4H3
InChIKeyFHXHPLRYDYNDPD-UHFFFAOYSA-N
XLogP3.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335322
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 82335326
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
(1-butyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335414
N-[2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334086
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
CID 82335299
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine (CID 82335320) is N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine is CCCNCCc1nc2cc(OC(C)C)ccc2n1CC.
What is the InChIKey of N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is FHXHPLRYDYNDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-10-18-11-9-17-19-15-12-14(21-13(3)4)7-8-16(15)20(17)6-2/h7-8,12-13,18H,5-6,9-11H2,1-4H3.
What are the key properties of N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82335320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).