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

C20H23N3O — CID 24947519

IUPACN-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H23N3O/c1-16(2)23(13-18-12-21-15-22-18)19-9-6-10-20(11-19)24-14-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,21,22)
InChIKeyNLRQYBYRKQFRQW-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.40
Rot. Bonds7

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

N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline (PubChem CID 24947519) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline
PubChem CID24947519
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H23N3O/c1-16(2)23(13-18-12-21-15-22-18)19-9-6-10-20(11-19)24-14-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,21,22)
InChIKeyNLRQYBYRKQFRQW-UHFFFAOYSA-N
XLogP4.40
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
2,4-Disubstituted Pyrimidine 2f
CID 5329419
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
CID 9881815
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
(R)-2-amino-2-(4-(4-(4-phenylbutoxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565738
(R)-2-amino-2-(4-(4-(5-phenylpentyloxy)phenyl)-1H-imidazol-2-yl)propyl dihydrogen phosphate
CID 44565739
1-[4-[4-(2-Amino-4-pyridinyl)butoxy]-3-methoxyphenyl]-1-cyclohexyl-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 166626228
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline (CID 24947519) is N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline?
The InChIKey is NLRQYBYRKQFRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16(2)23(13-18-12-21-15-22-18)19-9-6-10-20(11-19)24-14-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-3-phenylmethoxy-N-propan-2-ylaniline has a molecular weight of 321.42 g/mol, XLogP of 4.40, 7 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-phenylmethoxy-N-propan-2-ylaniline is sourced from PubChem (CID 24947519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).