2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile

C16H13N3 — CID 116880093

IUPAC2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile
SMILESCc1ccc2cc(-c3cnc(CC#N)[nH]3)ccc2c1
InChIInChI=1S/C16H13N3/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-10-18-16(19-15)6-7-17/h2-5,8-10H,6H2,1H3,(H,18,19)
InChIKeyYMQWTTVQNHJOLG-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.60
Rot. Bonds2

About 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile

2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile (PubChem CID 116880093) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile
PubChem CID116880093
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile
SMILESCc1ccc2cc(-c3cnc(CC#N)[nH]3)ccc2c1
InChIInChI=1S/C16H13N3/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-10-18-16(19-15)6-7-17/h2-5,8-10H,6H2,1H3,(H,18,19)
InChIKeyYMQWTTVQNHJOLG-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile (CID 116880093) is 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile is Cc1ccc2cc(-c3cnc(CC#N)[nH]3)ccc2c1.
What is the InChIKey of 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile?
The InChIKey is YMQWTTVQNHJOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-11-2-3-13-9-14(5-4-12(13)8-11)15-10-18-16(19-15)6-7-17/h2-5,8-10H,6H2,1H3,(H,18,19).
What are the key properties of 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile?
2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]acetonitrile is sourced from PubChem (CID 116880093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).