N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine

C18H27N3 — CID 115464368

IUPACN-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCc1ncn(Cc2ccccc2CCNC(C)(C)C)c1C
InChIInChI=1S/C18H27N3/c1-14-15(2)21(13-19-14)12-17-9-7-6-8-16(17)10-11-20-18(3,4)5/h6-9,13,20H,10-12H2,1-5H3
InChIKeyDBKJJBGTWRXEIO-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.48
Rot. Bonds5

About N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine

N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 115464368) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID115464368
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCc1ncn(Cc2ccccc2CCNC(C)(C)C)c1C
InChIInChI=1S/C18H27N3/c1-14-15(2)21(13-19-14)12-17-9-7-6-8-16(17)10-11-20-18(3,4)5/h6-9,13,20H,10-12H2,1-5H3
InChIKeyDBKJJBGTWRXEIO-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
1-methyl-4-phenyl-1H-imidazole
CID 2748782
Lepidiline B
CID 9862174
4-(2-(3,4-Dimethylphenylamino)ethyl)-1H-imidazole
CID 46222044
4-((1H-Imidazol-4-yl)methyl)-1-(3-isopropylphenyl)piperidine
CID 49799508
3-phenyl-N-[[3-(p-tolylmethyl)imidazol-4-yl]methyl]aniline
CID 504428
Benzyl-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096462
N-Benzyl-2-(1H-imidazol-5-YL)ethan-1-amine
CID 14712103
2-Cyano(3-(5-methyl-1H-imidazol-1-yl)propyl)-3-(3,4-dimethylphenyl)guanidine
CID 25054968
2-Cyano-1-[3-(5-methyl-1H-imidazol-1-yl)propyl]-4-phenylbenzene-1-guanidine
CID 25054970
Glutaminyl Cyclase Inhibitor 2
CID 134691748

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine (CID 115464368) is N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine is Cc1ncn(Cc2ccccc2CCNC(C)(C)C)c1C.
What is the InChIKey of N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is DBKJJBGTWRXEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-15(2)21(13-19-14)12-17-9-7-6-8-16(17)10-11-20-18(3,4)5/h6-9,13,20H,10-12H2,1-5H3.
What are the key properties of N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine?
N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115464368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).