N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine

C16H23N3O — CID 60850115

IUPACN-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1-c1cnc(CCNC(C)(C)C)[nH]1
InChIInChI=1S/C16H23N3O/c1-16(2,3)18-10-9-15-17-11-13(19-15)12-7-5-6-8-14(12)20-4/h5-8,11,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyAIPPXYZKTNRBFE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 60850115) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID60850115
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1-c1cnc(CCNC(C)(C)C)[nH]1
InChIInChI=1S/C16H23N3O/c1-16(2,3)18-10-9-15-17-11-13(19-15)12-7-5-6-8-14(12)20-4/h5-8,11,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyAIPPXYZKTNRBFE-UHFFFAOYSA-N
XLogP3.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 116877168
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878905
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
4-[2-[2-(tert-butylamino)ethyl]-1H-imidazol-5-yl]benzonitrile
CID 60850121
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 60850115) is N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine is COc1ccccc1-c1cnc(CCNC(C)(C)C)[nH]1.
What is the InChIKey of N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is AIPPXYZKTNRBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)18-10-9-15-17-11-13(19-15)12-7-5-6-8-14(12)20-4/h5-8,11,18H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60850115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).