N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide

C18H17N7O — CID 97226663

IUPACN-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@H](c1ccccc1)n1c(NC(=O)Cn2cnnn2)nc2ccccc21
InChIInChI=1S/C18H17N7O/c1-13(14-7-3-2-4-8-14)25-16-10-6-5-9-15(16)20-18(25)21-17(26)11-24-12-19-22-23-24/h2-10,12-13H,11H2,1H3,(H,20,21,26)/t13-/m1/s1
InChIKeyIUAUOTWJNOYVNF-CYBMUJFWSA-N
MW347.38 g/mol
LogP2.27
Rot. Bonds5

About N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide

N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 97226663) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID97226663
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESC[C@H](c1ccccc1)n1c(NC(=O)Cn2cnnn2)nc2ccccc21
InChIInChI=1S/C18H17N7O/c1-13(14-7-3-2-4-8-14)25-16-10-6-5-9-15(16)20-18(25)21-17(26)11-24-12-19-22-23-24/h2-10,12-13H,11H2,1H3,(H,20,21,26)/t13-/m1/s1
InChIKeyIUAUOTWJNOYVNF-CYBMUJFWSA-N
XLogP2.27
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]thiadiazole-5-carboxamide
CID 97226668
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
CID 7366362
N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 112793457
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
2-morpholin-4-yl-N-[1-(1-phenylethyl)benzimidazol-2-yl]pyridine-3-carboxamide
CID 167950597
2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71709673

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 97226663) is N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide is C[C@H](c1ccccc1)n1c(NC(=O)Cn2cnnn2)nc2ccccc21.
What is the InChIKey of N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is IUAUOTWJNOYVNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N7O/c1-13(14-7-3-2-4-8-14)25-16-10-6-5-9-15(16)20-18(25)21-17(26)11-24-12-19-22-23-24/h2-10,12-13H,11H2,1H3,(H,20,21,26)/t13-/m1/s1.
What are the key properties of N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 97226663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).