5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide

C22H24FN7O — CID 124847783

IUPAC5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C22H24FN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31)/t20-/m1/s1
InChIKeyLNLPFUOCOYKBID-HXUWFJFHSA-N
MW421.48 g/mol
LogP3.86
Rot. Bonds6

About 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide

5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 124847783) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
PubChem CID124847783
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C22H24FN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31)/t20-/m1/s1
InChIKeyLNLPFUOCOYKBID-HXUWFJFHSA-N
XLogP3.86
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide (CID 124847783) is 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide is CC(C)[C@@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is LNLPFUOCOYKBID-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-13(2)20(21-25-17-7-5-6-8-19(17)30(21)14(3)4)26-22(31)16-11-15(23)9-10-18(16)29-12-24-27-28-29/h5-14,20H,1-4H3,(H,26,31)/t20-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 421.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 124847783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).