5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide

C20H20FN7O2 — CID 91640650

IUPAC5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCOCCn1c([C@H](C)NC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21
InChIInChI=1S/C20H20FN7O2/c1-13(19-24-16-5-3-4-6-18(16)27(19)9-10-30-2)23-20(29)15-11-14(21)7-8-17(15)28-12-22-25-26-28/h3-8,11-13H,9-10H2,1-2H3,(H,23,29)/t13-/m0/s1
InChIKeyXBTSMDXSJBORFC-ZDUSSCGKSA-N
MW409.43 g/mol
LogP2.29
Rot. Bonds7

About 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide

5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 91640650) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID91640650
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCOCCn1c([C@H](C)NC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21
InChIInChI=1S/C20H20FN7O2/c1-13(19-24-16-5-3-4-6-18(16)27(19)9-10-30-2)23-20(29)15-11-14(21)7-8-17(15)28-12-22-25-26-28/h3-8,11-13H,9-10H2,1-2H3,(H,23,29)/t13-/m0/s1
InChIKeyXBTSMDXSJBORFC-ZDUSSCGKSA-N
XLogP2.29
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
CID 124847783
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 91821012
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124850734
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
5-bromo-N-[2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)benzamide
CID 118985913
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 124789083
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91639146

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide (CID 91640650) is 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide is COCCn1c([C@H](C)NC(=O)c2cc(F)ccc2-n2cnnn2)nc2ccccc21.
What is the InChIKey of 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is XBTSMDXSJBORFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-13(19-24-16-5-3-4-6-18(16)27(19)9-10-30-2)23-20(29)15-11-14(21)7-8-17(15)28-12-22-25-26-28/h3-8,11-13H,9-10H2,1-2H3,(H,23,29)/t13-/m0/s1.
What are the key properties of 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 409.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 91640650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).