1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole

C23H23F4N7 — CID 1469433

IUPAC1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H23F4N7/c1-15-28-20-12-17(23(25,26)27)4-7-21(20)34(15)19-8-10-32(11-9-19)14-22-29-30-31-33(22)13-16-2-5-18(24)6-3-16/h2-7,12,19H,8-11,13-14H2,1H3
InChIKeyJWHUIGLVTBTIOB-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.37
Rot. Bonds5

About 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole

1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole (PubChem CID 1469433) has the molecular formula C23H23F4N7 and a molecular weight of 473.48 g/mol. Its IUPAC name is 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole
PubChem CID1469433
Molecular FormulaC23H23F4N7
Molecular Weight473.48 g/mol
Exact Mass473.20
IUPAC Name1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H23F4N7/c1-15-28-20-12-17(23(25,26)27)4-7-21(20)34(15)19-8-10-32(11-9-19)14-22-29-30-31-33(22)13-16-2-5-18(24)6-3-16/h2-7,12,19H,8-11,13-14H2,1H3
InChIKeyJWHUIGLVTBTIOB-UHFFFAOYSA-N
XLogP4.37
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole (CID 1469433) is 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole is Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is JWHUIGLVTBTIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N7/c1-15-28-20-12-17(23(25,26)27)4-7-21(20)34(15)19-8-10-32(11-9-19)14-22-29-30-31-33(22)13-16-2-5-18(24)6-3-16/h2-7,12,19H,8-11,13-14H2,1H3.
What are the key properties of 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole?
1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 473.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 1469433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).