3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide

C23H26FN3O — CID 45177870

IUPAC3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nccn1C)C(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H26FN3O/c1-17(2)27(16-22-25-13-14-26(22)3)23(28)15-20(18-9-5-4-6-10-18)19-11-7-8-12-21(19)24/h4-14,17,20H,15-16H2,1-3H3
InChIKeyHRTLHROUUAKRER-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.52
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide

3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 45177870) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID45177870
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(Cc1nccn1C)C(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H26FN3O/c1-17(2)27(16-22-25-13-14-26(22)3)23(28)15-20(18-9-5-4-6-10-18)19-11-7-8-12-21(19)24/h4-14,17,20H,15-16H2,1-3H3
InChIKeyHRTLHROUUAKRER-UHFFFAOYSA-N
XLogP4.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
1-(2-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025147
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
CID 60840145
2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664874
3-(2-fluorophenyl)-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45210792
(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
CID 25367831
(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 63371947
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide (CID 45177870) is 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide is CC(C)N(Cc1nccn1C)C(=O)CC(c1ccccc1)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is HRTLHROUUAKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17(2)27(16-22-25-13-14-26(22)3)23(28)15-20(18-9-5-4-6-10-18)19-11-7-8-12-21(19)24/h4-14,17,20H,15-16H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 379.48 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 45177870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).