N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine

C19H24BrN3 — CID 167747121

IUPACN-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)N1CCN=C1NCc1cc(Br)c2ccccc2c1
InChIInChI=1S/C19H24BrN3/c1-3-16(4-2)23-10-9-21-19(23)22-13-14-11-15-7-5-6-8-17(15)18(20)12-14/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3,(H,21,22)
InChIKeyXLSDYANITZWALS-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.55
Rot. Bonds5

About N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine

N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine (PubChem CID 167747121) has the molecular formula C19H24BrN3 and a molecular weight of 374.33 g/mol. Its IUPAC name is N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine
PubChem CID167747121
Molecular FormulaC19H24BrN3
Molecular Weight374.33 g/mol
Exact Mass373.12
IUPAC NameN-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(CC)N1CCN=C1NCc1cc(Br)c2ccccc2c1
InChIInChI=1S/C19H24BrN3/c1-3-16(4-2)23-10-9-21-19(23)22-13-14-11-15-7-5-6-8-17(15)18(20)12-14/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3,(H,21,22)
InChIKeyXLSDYANITZWALS-UHFFFAOYSA-N
XLogP4.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine (CID 167747121) is N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine is CCC(CC)N1CCN=C1NCc1cc(Br)c2ccccc2c1.
What is the InChIKey of N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is XLSDYANITZWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3/c1-3-16(4-2)23-10-9-21-19(23)22-13-14-11-15-7-5-6-8-17(15)18(20)12-14/h5-8,11-12,16H,3-4,9-10,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine?
N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 374.33 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromonaphthalen-2-yl)methyl]-1-pentan-3-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 167747121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).