1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine

C16H20BrN3 — CID 106569126

IUPAC1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(Cc2cccc(Br)c2)c(NC2CCCC2)n1
InChIInChI=1S/C16H20BrN3/c1-12-10-20(11-13-5-4-6-14(17)9-13)16(18-12)19-15-7-2-3-8-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,18,19)
InChIKeyULNWZUARUMQJDU-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.36
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine

1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106569126) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106569126
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(Cc2cccc(Br)c2)c(NC2CCCC2)n1
InChIInChI=1S/C16H20BrN3/c1-12-10-20(11-13-5-4-6-14(17)9-13)16(18-12)19-15-7-2-3-8-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,18,19)
InChIKeyULNWZUARUMQJDU-UHFFFAOYSA-N
XLogP4.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946
1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
N-cyclopropyl-4-methyl-1-(pyridin-3-ylmethyl)imidazol-2-amine
CID 106560493
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568575
N-cyclopentyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582996
N-cyclohexyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106583003

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine (CID 106569126) is 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine is Cc1cn(Cc2cccc(Br)c2)c(NC2CCCC2)n1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is ULNWZUARUMQJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-10-20(11-13-5-4-6-14(17)9-13)16(18-12)19-15-7-2-3-8-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,18,19).
What are the key properties of 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106569126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).