4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one

C14H20N6O — CID 21295485

IUPAC4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one
SMILESO=C(CCCc1nnnn1C1CCCCC1)n1ccnc1
InChIInChI=1S/C14H20N6O/c21-14(19-10-9-15-11-19)8-4-7-13-16-17-18-20(13)12-5-2-1-3-6-12/h9-12H,1-8H2
InChIKeyWBANBXCRPCSKCN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.04
Rot. Bonds5

About 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one

4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one (PubChem CID 21295485) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one
PubChem CID21295485
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one
SMILESO=C(CCCc1nnnn1C1CCCCC1)n1ccnc1
InChIInChI=1S/C14H20N6O/c21-14(19-10-9-15-11-19)8-4-7-13-16-17-18-20(13)12-5-2-1-3-6-12/h9-12H,1-8H2
InChIKeyWBANBXCRPCSKCN-UHFFFAOYSA-N
XLogP2.04
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-Butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one
CID 53300809
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
3-Imidazol-1-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72142974
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 72149987
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 127830037
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
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]acetamide
CID 25274053
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamide
CID 42530058
1-(cyclobutylacetyl)-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72856277
1-butyryl-4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72930455
5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide
CID 21295446

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one?
The IUPAC name of 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one (CID 21295485) is 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one?
The canonical SMILES for 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one is O=C(CCCc1nnnn1C1CCCCC1)n1ccnc1.
What is the InChIKey of 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one?
The InChIKey is WBANBXCRPCSKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-14(19-10-9-15-11-19)8-4-7-13-16-17-18-20(13)12-5-2-1-3-6-12/h9-12H,1-8H2.
What are the key properties of 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one?
4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one has a molecular weight of 288.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyltetrazol-5-yl)-1-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 21295485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).