1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C11H16ClN5O — CID 114182978

IUPAC1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCCCCc1nc(Cl)c(CNCc2ncon2)[nH]1
InChIInChI=1S/C11H16ClN5O/c1-2-3-4-9-15-8(11(12)16-9)5-13-6-10-14-7-18-17-10/h7,13H,2-6H2,1H3,(H,15,16)
InChIKeyZQVVBSZYIGZSPI-UHFFFAOYSA-N
MW269.74 g/mol
LogP2.08
Rot. Bonds7

About 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 114182978) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID114182978
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCCCCc1nc(Cl)c(CNCc2ncon2)[nH]1
InChIInChI=1S/C11H16ClN5O/c1-2-3-4-9-15-8(11(12)16-9)5-13-6-10-14-7-18-17-10/h7,13H,2-6H2,1H3,(H,15,16)
InChIKeyZQVVBSZYIGZSPI-UHFFFAOYSA-N
XLogP2.08
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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]-2-(2-methylphenyl)ethanamine
CID 79756670
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005187
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
2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
CID 107095406
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107272042
2-[1-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756106
5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
CID 107095280
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107095589

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 114182978) is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is CCCCc1nc(Cl)c(CNCc2ncon2)[nH]1.
What is the InChIKey of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is ZQVVBSZYIGZSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-2-3-4-9-15-8(11(12)16-9)5-13-6-10-14-7-18-17-10/h7,13H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 269.74 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 114182978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).