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

C15H21N3 — CID 60852379

IUPACN-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccc(-c2cnc(CCNC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-11(2)16-9-8-15-17-10-14(18-15)13-6-4-12(3)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyFHJUTBJVVJIVDN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds5

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

N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine (PubChem CID 60852379) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
PubChem CID60852379
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccc(-c2cnc(CCNC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-11(2)16-9-8-15-17-10-14(18-15)13-6-4-12(3)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyFHJUTBJVVJIVDN-UHFFFAOYSA-N
XLogP2.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
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
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 63990888
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854007
N-[2-(5-propyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 114998586
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine (CID 60852379) is N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine is Cc1ccc(-c2cnc(CCNC(C)C)[nH]2)cc1.
What is the InChIKey of N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is FHJUTBJVVJIVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)16-9-8-15-17-10-14(18-15)13-6-4-12(3)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60852379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).