2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine

C16H23N3 — CID 3062755

IUPAC2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine
SMILESCCC(Cc1ccccc1)(Cn1ccnc1)N(C)C
InChIInChI=1S/C16H23N3/c1-4-16(18(2)3,13-19-11-10-17-14-19)12-15-8-6-5-7-9-15/h5-11,14H,4,12-13H2,1-3H3
InChIKeyZFJFCDMQBFDIHA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.84
Rot. Bonds6

About 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine

2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine (PubChem CID 3062755) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine
PubChem CID3062755
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine
SMILESCCC(Cc1ccccc1)(Cn1ccnc1)N(C)C
InChIInChI=1S/C16H23N3/c1-4-16(18(2)3,13-19-11-10-17-14-19)12-15-8-6-5-7-9-15/h5-11,14H,4,12-13H2,1-3H3
InChIKeyZFJFCDMQBFDIHA-UHFFFAOYSA-N
XLogP2.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine?
The IUPAC name of 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine (CID 3062755) is 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine?
The canonical SMILES for 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine is CCC(Cc1ccccc1)(Cn1ccnc1)N(C)C.
What is the InChIKey of 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine?
The InChIKey is ZFJFCDMQBFDIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-16(18(2)3,13-19-11-10-17-14-19)12-15-8-6-5-7-9-15/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine?
2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-imidazol-1-yl-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 3062755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).