N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline

C19H21N3O — CID 24947521

IUPACN-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H21N3O/c1-15(2)22(13-16-12-20-14-21-16)17-7-6-10-19(11-17)23-18-8-4-3-5-9-18/h3-12,14-15H,13H2,1-2H3,(H,20,21)
InChIKeyIYBQAEQBXHGFDQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.62
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline

N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline (PubChem CID 24947521) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline
PubChem CID24947521
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H21N3O/c1-15(2)22(13-16-12-20-14-21-16)17-7-6-10-19(11-17)23-18-8-4-3-5-9-18/h3-12,14-15H,13H2,1-2H3,(H,20,21)
InChIKeyIYBQAEQBXHGFDQ-UHFFFAOYSA-N
XLogP4.62
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
1-[4-[4-(Dimethylamino)butoxy]-3-methoxyphenyl]-3-[3-(5-methylimidazol-1-yl)propyl]-1-(1-methylpiperidin-4-yl)urea
CID 166631429
N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
CID 2914863
1-[3-(1H-imidazol-1-yl)propyl]-3-(3-methoxyphenyl)thiourea
CID 2910461
1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-methoxy-phenyl)-urea
CID 9819139
4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)piperidine
CID 9948238
4-[2-(3-Nitrophenoxy)ethyl]-1H-imidazole
CID 10657265
4-[3-(3-Nitro-phenoxy)-propyl]-1H-imidazole
CID 11402366
6-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-benzimidazole
CID 21276138
N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline
CID 24947139
1-(3,4-Dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
CID 25015755

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline (CID 24947521) is N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline?
The InChIKey is IYBQAEQBXHGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15(2)22(13-16-12-20-14-21-16)17-7-6-10-19(11-17)23-18-8-4-3-5-9-18/h3-12,14-15H,13H2,1-2H3,(H,20,21).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline has a molecular weight of 307.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline is sourced from PubChem (CID 24947521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).