N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine

C16H22BrN3 — CID 60849942

IUPACN-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1[nH]c(CCNC(C)(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3/c1-11-15(12-5-7-13(17)8-6-12)20-14(19-11)9-10-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyCIXXBPFRDXVWBE-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.08
Rot. Bonds4

About N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 60849942) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID60849942
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC NameN-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1[nH]c(CCNC(C)(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3/c1-11-15(12-5-7-13(17)8-6-12)20-14(19-11)9-10-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyCIXXBPFRDXVWBE-UHFFFAOYSA-N
XLogP4.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63926373
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 114996105
2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
CID 68888401
3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849760
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
2-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 55230388
2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 82489288
2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233278
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60861436

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 60849942) is N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine is Cc1[nH]c(CCNC(C)(C)C)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is CIXXBPFRDXVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-11-15(12-5-7-13(17)8-6-12)20-14(19-11)9-10-18-16(2,3)4/h5-8,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60849942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).