N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine

C18H27N3 — CID 60852192

IUPACN-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)Cc1ccc(-c2cnc(CCNC(C)C)[nH]2)cc1
InChIInChI=1S/C18H27N3/c1-13(2)11-15-5-7-16(8-6-15)17-12-20-18(21-17)9-10-19-14(3)4/h5-8,12-14,19H,9-11H2,1-4H3,(H,20,21)
InChIKeyGAQOABMBNUFKJU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.82
Rot. Bonds7

About N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine

N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine (PubChem CID 60852192) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
PubChem CID60852192
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)Cc1ccc(-c2cnc(CCNC(C)C)[nH]2)cc1
InChIInChI=1S/C18H27N3/c1-13(2)11-15-5-7-16(8-6-15)17-12-20-18(21-17)9-10-19-14(3)4/h5-8,12-14,19H,9-11H2,1-4H3,(H,20,21)
InChIKeyGAQOABMBNUFKJU-UHFFFAOYSA-N
XLogP3.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
N-[2-[5-(4-nitrophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853279
[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine
CID 116884087
5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile
CID 116879850
N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 63990888
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine (CID 60852192) is N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine is CC(C)Cc1ccc(-c2cnc(CCNC(C)C)[nH]2)cc1.
What is the InChIKey of N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is GAQOABMBNUFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)11-15-5-7-16(8-6-15)17-12-20-18(21-17)9-10-19-14(3)4/h5-8,12-14,19H,9-11H2,1-4H3,(H,20,21).
What are the key properties of N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60852192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).