1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride

C9H18Cl3N3 — CID 167740992

IUPAC1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride
SMILESCCCCc1nc(Cl)c(CNC)[nH]1.Cl.Cl
InChIInChI=1S/C9H16ClN3.2ClH/c1-3-4-5-8-12-7(6-11-2)9(10)13-8;;/h11H,3-6H2,1-2H3,(H,12,13);2*1H
InChIKeyBRPWLZKUFPXMNJ-UHFFFAOYSA-N
MW274.62 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride (PubChem CID 167740992) has the molecular formula C9H18Cl3N3 and a molecular weight of 274.62 g/mol. Its IUPAC name is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride
PubChem CID167740992
Molecular FormulaC9H18Cl3N3
Molecular Weight274.62 g/mol
Exact Mass273.06
IUPAC Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride
SMILESCCCCc1nc(Cl)c(CNC)[nH]1.Cl.Cl
InChIInChI=1S/C9H16ClN3.2ClH/c1-3-4-5-8-12-7(6-11-2)9(10)13-8;;/h11H,3-6H2,1-2H3,(H,12,13);2*1H
InChIKeyBRPWLZKUFPXMNJ-UHFFFAOYSA-N
XLogP2.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.62
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride (CID 167740992) is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride is CCCCc1nc(Cl)c(CNC)[nH]1.Cl.Cl.
What is the InChIKey of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride?
The InChIKey is BRPWLZKUFPXMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3.2ClH/c1-3-4-5-8-12-7(6-11-2)9(10)13-8;;/h11H,3-6H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride?
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride has a molecular weight of 274.62 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 167740992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).