7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile

C16H13N3 — CID 70456739

IUPAC7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile
SMILESCc1c(Cc2ncc[nH]2)ccc2ccc(C#N)cc12
InChIInChI=1S/C16H13N3/c1-11-14(9-16-18-6-7-19-16)5-4-13-3-2-12(10-17)8-15(11)13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRUKTUCHYTDUYFM-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.33
Rot. Bonds2

About 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile

7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile (PubChem CID 70456739) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile
PubChem CID70456739
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile
SMILESCc1c(Cc2ncc[nH]2)ccc2ccc(C#N)cc12
InChIInChI=1S/C16H13N3/c1-11-14(9-16-18-6-7-19-16)5-4-13-3-2-12(10-17)8-15(11)13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyRUKTUCHYTDUYFM-UHFFFAOYSA-N
XLogP3.33
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile?
The IUPAC name of 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile (CID 70456739) is 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile.
What is the SMILES notation for 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile?
The canonical SMILES for 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile is Cc1c(Cc2ncc[nH]2)ccc2ccc(C#N)cc12.
What is the InChIKey of 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile?
The InChIKey is RUKTUCHYTDUYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-11-14(9-16-18-6-7-19-16)5-4-13-3-2-12(10-17)8-15(11)13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile?
7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile is sourced from PubChem (CID 70456739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).