N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine

C17H23N3 — CID 102970503

IUPACN-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
SMILESCc1[nH]c(C(C)NCC2CCC2)nc1-c1ccccc1
InChIInChI=1S/C17H23N3/c1-12-16(15-9-4-3-5-10-15)20-17(19-12)13(2)18-11-14-7-6-8-14/h3-5,9-10,13-14,18H,6-8,11H2,1-2H3,(H,19,20)
InChIKeyJQBXVMKKUOZSDW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.84
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine

N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine (PubChem CID 102970503) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
PubChem CID102970503
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
SMILESCc1[nH]c(C(C)NCC2CCC2)nc1-c1ccccc1
InChIInChI=1S/C17H23N3/c1-12-16(15-9-4-3-5-10-15)20-17(19-12)13(2)18-11-14-7-6-8-14/h3-5,9-10,13-14,18H,6-8,11H2,1-2H3,(H,19,20)
InChIKeyJQBXVMKKUOZSDW-UHFFFAOYSA-N
XLogP3.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
CID 102970042
(1S)-2-methyl-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)propan-1-amine
CID 102970498
N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 102970600
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine (CID 102970503) is N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine is Cc1[nH]c(C(C)NCC2CCC2)nc1-c1ccccc1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
The InChIKey is JQBXVMKKUOZSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-16(15-9-4-3-5-10-15)20-17(19-12)13(2)18-11-14-7-6-8-14/h3-5,9-10,13-14,18H,6-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine?
N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 102970503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).