N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide

C15H17N7O — CID 125438716

IUPACN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCc1cnc([C@@H](C)NC(=O)c2ccc(Cn3cnnn3)cc2)[nH]1
InChIInChI=1S/C15H17N7O/c1-10-7-16-14(18-10)11(2)19-15(23)13-5-3-12(4-6-13)8-22-9-17-20-21-22/h3-7,9,11H,8H2,1-2H3,(H,16,18)(H,19,23)/t11-/m1/s1
InChIKeyHUEKXKATXXSEDG-LLVKDONJSA-N
MW311.35 g/mol
LogP1.24
Rot. Bonds5

About N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 125438716) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID125438716
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCc1cnc([C@@H](C)NC(=O)c2ccc(Cn3cnnn3)cc2)[nH]1
InChIInChI=1S/C15H17N7O/c1-10-7-16-14(18-10)11(2)19-15(23)13-5-3-12(4-6-13)8-22-9-17-20-21-22/h3-7,9,11H,8H2,1-2H3,(H,16,18)(H,19,23)/t11-/m1/s1
InChIKeyHUEKXKATXXSEDG-LLVKDONJSA-N
XLogP1.24
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 100906614
N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74239494
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 125436634
2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91792347
N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626130
2-(benzotriazol-2-yl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 125435660
1,6-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 126435307
3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid
CID 154905248
2-[3,5-dimethyl-4-[[4-(tetrazol-1-ylmethyl)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 46994156
N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74236568

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide (CID 125438716) is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide is Cc1cnc([C@@H](C)NC(=O)c2ccc(Cn3cnnn3)cc2)[nH]1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is HUEKXKATXXSEDG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10-7-16-14(18-10)11(2)19-15(23)13-5-3-12(4-6-13)8-22-9-17-20-21-22/h3-7,9,11H,8H2,1-2H3,(H,16,18)(H,19,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 311.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 125438716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).