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

C16H25N3O — CID 82335282

IUPAC1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2cc(OC(C)C)ccc2n1CC
InChIInChI=1S/C16H25N3O/c1-5-7-13(17)16-18-14-10-12(20-11(3)4)8-9-15(14)19(16)6-2/h8-11,13H,5-7,17H2,1-4H3
InChIKeyPVCSSTZHGNFDIY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.64
Rot. Bonds6

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

1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine (PubChem CID 82335282) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
PubChem CID82335282
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2cc(OC(C)C)ccc2n1CC
InChIInChI=1S/C16H25N3O/c1-5-7-13(17)16-18-14-10-12(20-11(3)4)8-9-15(14)19(16)6-2/h8-11,13H,5-7,17H2,1-4H3
InChIKeyPVCSSTZHGNFDIY-UHFFFAOYSA-N
XLogP3.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
CID 82335299
1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine
CID 82334395
1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
CID 82334391
3-methyl-1-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335287
1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
CID 62377244
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335320
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine (CID 82335282) is 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine is CCCC(N)c1nc2cc(OC(C)C)ccc2n1CC.
What is the InChIKey of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
The InChIKey is PVCSSTZHGNFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-7-13(17)16-18-14-10-12(20-11(3)4)8-9-15(14)19(16)6-2/h8-11,13H,5-7,17H2,1-4H3.
What are the key properties of 1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine?
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.64, 6 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)butan-1-amine is sourced from PubChem (CID 82335282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).