4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide

C26H30FN7O2 — CID 56602802

IUPAC4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C
InChIInChI=1S/C26H30FN7O2/c1-25(2,3)14-13-20(16-9-11-17(12-10-16)22(35)28-24-30-32-33-31-24)34-23(36)21(29-26(34,4)5)18-7-6-8-19(27)15-18/h6-12,15,20H,13-14H2,1-5H3,(H2,28,30,31,32,33,35)/t20-/m1/s1
InChIKeyIGHZASWXXSVIBG-HXUWFJFHSA-N
MW491.57 g/mol
LogP4.53
Rot. Bonds7

About 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide

4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 56602802) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID56602802
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC Name4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C
InChIInChI=1S/C26H30FN7O2/c1-25(2,3)14-13-20(16-9-11-17(12-10-16)22(35)28-24-30-32-33-31-24)34-23(36)21(29-26(34,4)5)18-7-6-8-19(27)15-18/h6-12,15,20H,13-14H2,1-5H3,(H2,28,30,31,32,33,35)/t20-/m1/s1
InChIKeyIGHZASWXXSVIBG-HXUWFJFHSA-N
XLogP4.53
TPSA116.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide (CID 56602802) is 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide is CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C.
What is the InChIKey of 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is IGHZASWXXSVIBG-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-25(2,3)14-13-20(16-9-11-17(12-10-16)22(35)28-24-30-32-33-31-24)34-23(36)21(29-26(34,4)5)18-7-6-8-19(27)15-18/h6-12,15,20H,13-14H2,1-5H3,(H2,28,30,31,32,33,35)/t20-/m1/s1.
What are the key properties of 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 491.57 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 56602802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).