N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide

C19H25BrN4 — CID 53318223

IUPACN-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide
SMILESBr.NCC[C@H]1CN=C(CN(Cc2ccccc2)c2ccccc2)N1
InChIInChI=1S/C19H24N4.BrH/c20-12-11-17-13-21-19(22-17)15-23(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16;/h1-10,17H,11-15,20H2,(H,21,22);1H/t17-;/m0./s1
InChIKeyMNHUFPJHPJWKAN-LMOVPXPDSA-N
MW389.34 g/mol
LogP2.99
Rot. Bonds7

About N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide

N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide (PubChem CID 53318223) has the molecular formula C19H25BrN4 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide.

Molecular Properties

Compound NameN-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide
PubChem CID53318223
Molecular FormulaC19H25BrN4
Molecular Weight389.34 g/mol
Exact Mass388.13
IUPAC NameN-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide
SMILESBr.NCC[C@H]1CN=C(CN(Cc2ccccc2)c2ccccc2)N1
InChIInChI=1S/C19H24N4.BrH/c20-12-11-17-13-21-19(22-17)15-23(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16;/h1-10,17H,11-15,20H2,(H,21,22);1H/t17-;/m0./s1
InChIKeyMNHUFPJHPJWKAN-LMOVPXPDSA-N
XLogP2.99
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzylaniline
CID 139071697
5-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510463
4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606
N,N-dibenzylpyridin-4-amine
CID 15006775
N,N-dibenzyl-4-[cyclohexyl-[4-(dibenzylamino)phenyl]methyl]aniline
CID 54145611
(5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 53318221
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
CID 6603723
2-[(5R)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine
CID 53319577
N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
CID 53323541
N-benzyl-N-propylaniline
CID 14671265
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide?
The IUPAC name of N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide (CID 53318223) is N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide.
What is the SMILES notation for N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide?
The canonical SMILES for N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide is Br.NCC[C@H]1CN=C(CN(Cc2ccccc2)c2ccccc2)N1.
What is the InChIKey of N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide?
The InChIKey is MNHUFPJHPJWKAN-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H24N4.BrH/c20-12-11-17-13-21-19(22-17)15-23(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16;/h1-10,17H,11-15,20H2,(H,21,22);1H/t17-;/m0./s1.
What are the key properties of N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide?
N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide has a molecular weight of 389.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]methyl]-N-benzylaniline;hydrobromide is sourced from PubChem (CID 53318223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).