1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole

C15H18N6 — CID 122143754

IUPAC1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole
SMILESCn1ccnc1Cn1nnnc1CCCc1ccccc1
InChIInChI=1S/C15H18N6/c1-20-11-10-16-15(20)12-21-14(17-18-19-21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyQUGYGJUIXDHDJS-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.63
Rot. Bonds6

About 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole

1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole (PubChem CID 122143754) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole
PubChem CID122143754
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole
SMILESCn1ccnc1Cn1nnnc1CCCc1ccccc1
InChIInChI=1S/C15H18N6/c1-20-11-10-16-15(20)12-21-14(17-18-19-21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKeyQUGYGJUIXDHDJS-UHFFFAOYSA-N
XLogP1.63
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole (CID 122143754) is 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole is Cn1ccnc1Cn1nnnc1CCCc1ccccc1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole?
The InChIKey is QUGYGJUIXDHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-20-11-10-16-15(20)12-21-14(17-18-19-21)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole?
1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole has a molecular weight of 282.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-5-(3-phenylpropyl)tetrazole is sourced from PubChem (CID 122143754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).