N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

C22H23N7O — CID 86970770

IUPACN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCc1nccn1Cc1ccc(NC(=O)C(Cc2ccccc2)n2nnnc2C)cc1
InChIInChI=1S/C22H23N7O/c1-16-23-12-13-28(16)15-19-8-10-20(11-9-19)24-22(30)21(29-17(2)25-26-27-29)14-18-6-4-3-5-7-18/h3-13,21H,14-15H2,1-2H3,(H,24,30)
InChIKeyPVCSECSIUOJFLN-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.96
Rot. Bonds7

About N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide

N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (PubChem CID 86970770) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
PubChem CID86970770
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
SMILESCc1nccn1Cc1ccc(NC(=O)C(Cc2ccccc2)n2nnnc2C)cc1
InChIInChI=1S/C22H23N7O/c1-16-23-12-13-28(16)15-19-8-10-20(11-9-19)24-22(30)21(29-17(2)25-26-27-29)14-18-6-4-3-5-7-18/h3-13,21H,14-15H2,1-2H3,(H,24,30)
InChIKeyPVCSECSIUOJFLN-UHFFFAOYSA-N
XLogP2.96
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]phenyl]pyrazole-3-carboxamide
CID 86970759
2-[3-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230638
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
1-benzyl-2-methylimidazole
CID 158634472
N-(2-amino-2-ethylbutyl)-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide;hydrochloride
CID 119642838
2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 56578005
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
(2S)-2-[[2-(5-methyltetrazol-1-yl)-3-phenylpropanoyl]amino]hexanoic acid
CID 120614831
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 86994053
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55785267

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide (CID 86970770) is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The canonical SMILES for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is Cc1nccn1Cc1ccc(NC(=O)C(Cc2ccccc2)n2nnnc2C)cc1.
What is the InChIKey of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
The InChIKey is PVCSECSIUOJFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-16-23-12-13-28(16)15-19-8-10-20(11-9-19)24-22(30)21(29-17(2)25-26-27-29)14-18-6-4-3-5-7-18/h3-13,21H,14-15H2,1-2H3,(H,24,30).
What are the key properties of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide?
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide has a molecular weight of 401.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 86970770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).