N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine

C18H25N3 — CID 102970600

IUPACN-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCc1cc(C)cc(-c2cnc(C(C)NCC3CCC3)[nH]2)c1
InChIInChI=1S/C18H25N3/c1-12-7-13(2)9-16(8-12)17-11-20-18(21-17)14(3)19-10-15-5-4-6-15/h7-9,11,14-15,19H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyRHNRZXYPXHAHAJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.14
Rot. Bonds5

About N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine

N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 102970600) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID102970600
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCc1cc(C)cc(-c2cnc(C(C)NCC3CCC3)[nH]2)c1
InChIInChI=1S/C18H25N3/c1-12-7-13(2)9-16(8-12)17-11-20-18(21-17)14(3)19-10-15-5-4-6-15/h7-9,11,14-15,19H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyRHNRZXYPXHAHAJ-UHFFFAOYSA-N
XLogP4.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)ethanamine
CID 102970503
N-(cyclobutylmethyl)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
CID 102970042
[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine
CID 102970575
N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
N-(cyclobutylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612552
(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
CID 67214443
1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
CID 67214444
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine
CID 89492565
N-[(3-methylcyclohexyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103884007
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine (CID 102970600) is N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine is Cc1cc(C)cc(-c2cnc(C(C)NCC3CCC3)[nH]2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is RHNRZXYPXHAHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-7-13(2)9-16(8-12)17-11-20-18(21-17)14(3)19-10-15-5-4-6-15/h7-9,11,14-15,19H,4-6,10H2,1-3H3,(H,20,21).
What are the key properties of N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
N-(cyclobutylmethyl)-1-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.14, 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-(3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 102970600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).