5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one

C16H25N7O — CID 53300809

IUPAC5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H25N7O/c1-3-4-11-23-15(18-19-20-23)16(2)7-6-14(24)22(16)10-5-9-21-12-8-17-13-21/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyNVZLTUOVCUQQFR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.60
Rot. Bonds8

About 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one (PubChem CID 53300809) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one
PubChem CID53300809
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1CCCn1ccnc1
InChIInChI=1S/C16H25N7O/c1-3-4-11-23-15(18-19-20-23)16(2)7-6-14(24)22(16)10-5-9-21-12-8-17-13-21/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyNVZLTUOVCUQQFR-UHFFFAOYSA-N
XLogP1.60
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
8-[(1-Methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397068
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]piperidine
CID 72926642
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 164637368
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 128994227
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 167829193
(1-methyl-1H-imidazol-2-yl)(1-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-3-piperidinyl)methanone
CID 45222283
4-(1-Cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one
CID 21295485
7-Cyclohexyl-1-[(1-methylimidazol-2-yl)methyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 24759750
4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 59940956
4-(2-ethylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 140418948
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 140418955

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one (CID 53300809) is 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1CCCn1ccnc1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one?
The InChIKey is NVZLTUOVCUQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-3-4-11-23-15(18-19-20-23)16(2)7-6-14(24)22(16)10-5-9-21-12-8-17-13-21/h8,12-13H,3-7,9-11H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).