(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide

C20H18F3N7O — CID 91639260

IUPAC(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide
SMILESO=C(NCCn1c(C(F)(F)F)nc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)19-26-15-8-4-5-9-16(15)29(19)11-10-24-18(31)17(30-13-25-27-28-30)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,24,31)/t17-/m0/s1
InChIKeyFKGKOLAJXBBYRO-KRWDZBQOSA-N
MW429.41 g/mol
LogP2.64
Rot. Bonds7

About (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide

(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide (PubChem CID 91639260) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide
PubChem CID91639260
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide
SMILESO=C(NCCn1c(C(F)(F)F)nc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)19-26-15-8-4-5-9-16(15)29(19)11-10-24-18(31)17(30-13-25-27-28-30)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,24,31)/t17-/m0/s1
InChIKeyFKGKOLAJXBBYRO-KRWDZBQOSA-N
XLogP2.64
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
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(2R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
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1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide?
The IUPAC name of (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide (CID 91639260) is (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide?
The canonical SMILES for (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide is O=C(NCCn1c(C(F)(F)F)nc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide?
The InChIKey is FKGKOLAJXBBYRO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18F3N7O/c21-20(22,23)19-26-15-8-4-5-9-16(15)29(19)11-10-24-18(31)17(30-13-25-27-28-30)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,24,31)/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide?
(2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide has a molecular weight of 429.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]propanamide is sourced from PubChem (CID 91639260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).