N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine

C19H23N3O — CID 5328508

IUPACN,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine
SMILESCN(C)CCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H23N3O/c1-21(2)12-6-7-13-23-17-10-11-19-18(14-17)20-15-22(19)16-8-4-3-5-9-16/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3
InChIKeyRGNZNEYNFBAXTE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.75
Rot. Bonds7

About N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine

N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine (PubChem CID 5328508) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine
PubChem CID5328508
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine
SMILESCN(C)CCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H23N3O/c1-21(2)12-6-7-13-23-17-10-11-19-18(14-17)20-15-22(19)16-8-4-3-5-9-16/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3
InChIKeyRGNZNEYNFBAXTE-UHFFFAOYSA-N
XLogP3.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine?
The IUPAC name of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine (CID 5328508) is N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine is CN(C)CCCCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine?
The InChIKey is RGNZNEYNFBAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)12-6-7-13-23-17-10-11-19-18(14-17)20-15-22(19)16-8-4-3-5-9-16/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine?
N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine has a molecular weight of 309.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-phenylbenzimidazol-5-yl)oxybutan-1-amine is sourced from PubChem (CID 5328508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).