N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine

C13H24ClN5 — CID 83010483

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
SMILESCCCCc1nc(Cl)c(CNN2CCN(C)CC2)[nH]1
InChIInChI=1S/C13H24ClN5/c1-3-4-5-12-16-11(13(14)17-12)10-15-19-8-6-18(2)7-9-19/h15H,3-10H2,1-2H3,(H,16,17)
InChIKeyVWFOZXCYPCJGFR-UHFFFAOYSA-N
MW285.82 g/mol
LogP1.66
Rot. Bonds6

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine (PubChem CID 83010483) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
PubChem CID83010483
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
SMILESCCCCc1nc(Cl)c(CNN2CCN(C)CC2)[nH]1
InChIInChI=1S/C13H24ClN5/c1-3-4-5-12-16-11(13(14)17-12)10-15-19-8-6-18(2)7-9-19/h15H,3-10H2,1-2H3,(H,16,17)
InChIKeyVWFOZXCYPCJGFR-UHFFFAOYSA-N
XLogP1.66
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
CID 113471623
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719572
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005187
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pent-1-yn-3-amine
CID 106224939
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107272042
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107095589
4-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]phenol
CID 114331440
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095487

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine (CID 83010483) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine is CCCCc1nc(Cl)c(CNN2CCN(C)CC2)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is VWFOZXCYPCJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-3-4-5-12-16-11(13(14)17-12)10-15-19-8-6-18(2)7-9-19/h15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 285.82 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83010483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).