N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide

C18H23N7O — CID 74232043

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(C(=O)NC(Cn2ccnc2)C(C)(C)C)c1
InChIInChI=1S/C18H23N7O/c1-13-21-22-23-25(13)15-7-5-6-14(10-15)17(26)20-16(18(2,3)4)11-24-9-8-19-12-24/h5-10,12,16H,11H2,1-4H3,(H,20,26)
InChIKeyFVVTVPGUTUBYEV-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.01
Rot. Bonds5

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide (PubChem CID 74232043) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
PubChem CID74232043
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1cccc(C(=O)NC(Cn2ccnc2)C(C)(C)C)c1
InChIInChI=1S/C18H23N7O/c1-13-21-22-23-25(13)15-7-5-6-14(10-15)17(26)20-16(18(2,3)4)11-24-9-8-19-12-24/h5-10,12,16H,11H2,1-4H3,(H,20,26)
InChIKeyFVVTVPGUTUBYEV-UHFFFAOYSA-N
XLogP2.01
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77083723
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 71887640
N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide
CID 126425068
3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
CID 99946998
N-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 95391453
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 92614116
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
CID 56762738
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide (CID 74232043) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide is Cc1nnnn1-c1cccc(C(=O)NC(Cn2ccnc2)C(C)(C)C)c1.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is FVVTVPGUTUBYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13-21-22-23-25(13)15-7-5-6-14(10-15)17(26)20-16(18(2,3)4)11-24-9-8-19-12-24/h5-10,12,16H,11H2,1-4H3,(H,20,26).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 353.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 74232043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).