(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone

C15H11BrN2O — CID 114272864

IUPAC(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C15H11BrN2O/c1-18-8-14(17-9-18)15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-9H,1H3
InChIKeyIOLJZICMYBANIZ-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.57
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone

(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 114272864) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID114272864
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C15H11BrN2O/c1-18-8-14(17-9-18)15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-9H,1H3
InChIKeyIOLJZICMYBANIZ-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone (CID 114272864) is (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)c2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is IOLJZICMYBANIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-18-8-14(17-9-18)15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-9H,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone?
(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 315.17 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 114272864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).