2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole

C17H18ClFN4O — CID 96571891

IUPAC2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole
SMILESCC[C@@H](c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1
InChIInChI=1S/C17H18ClFN4O/c1-4-15(12-9-21-22(2)10-12)23-6-5-20-17(23)11-7-13(18)16(24-3)14(19)8-11/h5-10,15H,4H2,1-3H3/t15-/m0/s1
InChIKeyKHONZDHTUSDFQW-HNNXBMFYSA-N
MW348.81 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole

2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole (PubChem CID 96571891) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole
PubChem CID96571891
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole
SMILESCC[C@@H](c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1
InChIInChI=1S/C17H18ClFN4O/c1-4-15(12-9-21-22(2)10-12)23-6-5-20-17(23)11-7-13(18)16(24-3)14(19)8-11/h5-10,15H,4H2,1-3H3/t15-/m0/s1
InChIKeyKHONZDHTUSDFQW-HNNXBMFYSA-N
XLogP4.08
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-1H-imidazol-2-yl)-N-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16189954
N-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(2-methyl-1H-imidazol-1-yl)ethanamine
CID 16190023
4-{1-[2-(3-chloro-5-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]propyl}-1-methyl-1H-pyrazole
CID 70709924
7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97382088
1-(4-Chlorophenyl)-4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)pyrazole
CID 168286377
1-{2-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]propyl}-3,5-dimethyl-1H-pyrazole
CID 56870333
1-{2-[2-(3-chloro-5-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]ethyl}-1H-pyrazole
CID 56873156
1-{3-[2-(2,6-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]butyl}-1H-pyrazole
CID 56874865
4-{[2-(2,6-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]methyl}-1-methyl-1H-pyrazole
CID 56875739
4-{[2-(5-fluoro-2-methoxyphenyl)-1H-imidazol-1-yl]methyl}-1-isopropyl-3,5-dimethyl-1H-pyrazole
CID 70733969
5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole
CID 95223813
1-[(4-methoxyphenyl)methyl]-5-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]imidazole
CID 164639377

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole?
The IUPAC name of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole (CID 96571891) is 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole.
What is the SMILES notation for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole?
The canonical SMILES for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole is CC[C@@H](c1cnn(C)c1)n1ccnc1-c1cc(F)c(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole?
The InChIKey is KHONZDHTUSDFQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-4-15(12-9-21-22(2)10-12)23-6-5-20-17(23)11-7-13(18)16(24-3)14(19)8-11/h5-10,15H,4H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole?
2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole has a molecular weight of 348.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole is sourced from PubChem (CID 96571891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).