1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole

C16H14ClF2N5O — CID 118870162

IUPAC1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole
SMILESFC(F)Oc1cc(-n2cc(Cn3ccnc3C3CC3)nn2)ccc1Cl
InChIInChI=1S/C16H14ClF2N5O/c17-13-4-3-12(7-14(13)25-16(18)19)24-9-11(21-22-24)8-23-6-5-20-15(23)10-1-2-10/h3-7,9-10,16H,1-2,8H2
InChIKeyBHASKRVNSLNZGW-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.64
Rot. Bonds6

About 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole

1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole (PubChem CID 118870162) has the molecular formula C16H14ClF2N5O and a molecular weight of 365.77 g/mol. Its IUPAC name is 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole
PubChem CID118870162
Molecular FormulaC16H14ClF2N5O
Molecular Weight365.77 g/mol
Exact Mass365.09
IUPAC Name1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole
SMILESFC(F)Oc1cc(-n2cc(Cn3ccnc3C3CC3)nn2)ccc1Cl
InChIInChI=1S/C16H14ClF2N5O/c17-13-4-3-12(7-14(13)25-16(18)19)24-9-11(21-22-24)8-23-6-5-20-15(23)10-1-2-10/h3-7,9-10,16H,1-2,8H2
InChIKeyBHASKRVNSLNZGW-UHFFFAOYSA-N
XLogP3.64
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole (CID 118870162) is 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole is FC(F)Oc1cc(-n2cc(Cn3ccnc3C3CC3)nn2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
The InChIKey is BHASKRVNSLNZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O/c17-13-4-3-12(7-14(13)25-16(18)19)24-9-11(21-22-24)8-23-6-5-20-15(23)10-1-2-10/h3-7,9-10,16H,1-2,8H2.
What are the key properties of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole has a molecular weight of 365.77 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).