5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine

C15H20BrN3 — CID 43651177

IUPAC5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
SMILESCc1[nH]c(CCCCCN)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-11-15(12-6-8-13(16)9-7-12)19-14(18-11)5-3-2-4-10-17/h6-9H,2-5,10,17H2,1H3,(H,18,19)
InChIKeyPRUGHQLBFJPVBI-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.82
Rot. Bonds6

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

5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 43651177) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
PubChem CID43651177
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
SMILESCc1[nH]c(CCCCCN)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-11-15(12-6-8-13(16)9-7-12)19-14(18-11)5-3-2-4-10-17/h6-9H,2-5,10,17H2,1H3,(H,18,19)
InChIKeyPRUGHQLBFJPVBI-UHFFFAOYSA-N
XLogP3.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 114079195
N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60849942
5-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 112679311
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 82489288
N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63926373
2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233278
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849760

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine (CID 43651177) is 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine is Cc1[nH]c(CCCCCN)nc1-c1ccc(Br)cc1.
What is the InChIKey of 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is PRUGHQLBFJPVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-11-15(12-6-8-13(16)9-7-12)19-14(18-11)5-3-2-4-10-17/h6-9H,2-5,10,17H2,1H3,(H,18,19).
What are the key properties of 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine?
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 43651177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).