N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine

C10H16BrN3 — CID 117187124

IUPACN-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine
SMILESCn1cc(Br)nc1CNC1CCCC1
InChIInChI=1S/C10H16BrN3/c1-14-7-9(11)13-10(14)6-12-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3
InChIKeyITDGMXAQRXWGLY-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.21
Rot. Bonds3

About N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine

N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine (PubChem CID 117187124) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine
PubChem CID117187124
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine
SMILESCn1cc(Br)nc1CNC1CCCC1
InChIInChI=1S/C10H16BrN3/c1-14-7-9(11)13-10(14)6-12-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3
InChIKeyITDGMXAQRXWGLY-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine
CID 117187425
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
CID 166449724
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopentanamine
CID 63756238
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
CID 79175819
N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
CID 131176759
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine (CID 117187124) is N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine is Cn1cc(Br)nc1CNC1CCCC1.
What is the InChIKey of N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine?
The InChIKey is ITDGMXAQRXWGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-14-7-9(11)13-10(14)6-12-8-4-2-3-5-8/h7-8,12H,2-6H2,1H3.
What are the key properties of N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine?
N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine has a molecular weight of 258.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117187124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).